Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL580607 | 1.00 | — | — | |
| Water SCHEMBL21379772 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL184132 | 0.82 | — | — | |
| Water SCHEMBL22558537 | 0.67 | — | — | |
| Water SCHEMBL23631871 | 0.67 | — | — | |
| Water SCHEMBL25188536 | 0.67 | — | — | |
| Water SCHEMBL25334174 | 0.67 | — | — | |
| Water SCHEMBL21293770 | 0.67 | — | — | |
| Water SCHEMBL21986451 | 0.67 | — | — | |
| Water SCHEMBL20838826 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118978710-A | Method for preparing high-entropy nano metal organic frame material containing five rare earth elements | 吉林大学 | 2024-11-19 | — | — | CN | claimed |
| CN-113772715-B | Anhydrous samarium chloride and preparation method thereof | 天津包钢稀土研究院有限责任公司 | 2023-06-23 | — | — | CN | claimed |
| CN-113772714-A | Anhydrous samarium chloride and preparation method thereof | 天津包钢稀土研究院有限责任公司 | 2021-12-10 | — | — | CN | claimed |
| CN-113772715-A | Anhydrous samarium chloride and preparation method thereof | 天津包钢稀土研究院有限责任公司 | 2021-12-10 | — | — | CN | claimed |
| US-4436837-A | HYDROGENATION, HYDROGENATION CATALYSTS | TEXACO INC. (US) | 1984-03-13 | — | — | US | claimed |
| CN-119581576-A | Rare earth doped cerium oxide spherical nanocomposite and preparation method and application thereof | 中国科学院过程工程研究所 | 2025-03-07 | — | — | CN | disclosed |
| CN-118978710-A | Method for preparing high-entropy nano metal organic frame material containing five rare earth elements | 吉林大学 | 2024-11-19 | — | — | CN | disclosed |
| CN-118978710-A | Method for preparing high-entropy nano metal organic frame material containing five rare earth elements | 吉林大学 | 2024-11-19 | — | — | CN | disclosed |
| CN-113772715-B | Anhydrous samarium chloride and preparation method thereof | 天津包钢稀土研究院有限责任公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-113772714-A | Anhydrous samarium chloride and preparation method thereof | 天津包钢稀土研究院有限责任公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-113772715-A | Anhydrous samarium chloride and preparation method thereof | 天津包钢稀土研究院有限责任公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-108993549-A | A kind of preparation method of Ag load SmOCl photochemical catalyst | 陕西科技大学 | 2018-12-14 | — | — | CN | disclosed |
| EP-1235770-A1 | PROCESS FOR VINYL CHLORIDE MANUFACTURE FROM ETHANE AND ETHYLENE | THE DOW CHEMICAL COMPANY (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1235773-A1 | PROCESS FOR VINYL CHLORIDE MANUFACTURE FROM ETHANE AND ETHYLENE WITH PARTIAL HCL RECOVERY FROM REACTOR EFFLUENT | THE DOW CHEMICAL COMPANY (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001042176-A1 | PROCESS FOR VINYL CHLORIDE MANUFACTURE FROM ETHANE AND ETHYLENE WITH IMMEDIATE HC1 RECOVERY FROM REACTOR EFFLUENT | THE DOW CHEMICAL COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |
| WO-2001038274-A1 | PROCESS FOR VINYL CHLORIDE MANUFACTURE FROM ETHANE AND ETHYLENE WITH PARTIAL HC1 RECOVERY FROM REACTOR EFFLUENT | THE DOW CHEMICAL COMPANY (US) | 2001-05-31 | — | — | WO | disclosed |
| WO-2001038273-A1 | A PROCESS FOR THE CONVERSION OF ETHYLENE TO VINYL CHLORIDE, AND NOVEL CATALYST COMPOSITIONS USEFUL FOR SUCH PROCESS | THE DOW CHEMICAL COMPANY (US) | 2001-05-31 | — | — | WO | disclosed |
| WO-2001038272-A1 | PROCESS FOR VINYL CHLORIDE MANUFACTURE FROM ETHANE AND ETHYLENE WITH SECONDARY REACTIVE CONSUMPTION OF REACTOR EFFLUENT HCl | THE DOW CHEMICAL COMPANY (US) | 2001-05-31 | — | — | WO | disclosed |
| US-6177088-B1 | Surface-functionalized, probe-containing nanospheres | FAYETTE ENVIRONMENTAL SERVICES, INC. | 2001-01-23 | — | — | US | disclosed |
| US-4436837-A | HYDROGENATION, HYDROGENATION CATALYSTS | TEXACO INC. (US) | 1984-03-13 | — | — | US | disclosed |