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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28210434 | 0.96 | — | — | |
| SCHEMBL18567 | 0.96 | — | — | |
| SCHEMBL28164299 | 0.92 | — | — | |
| SCHEMBL4556629 | 0.92 | — | — | |
| SCHEMBL29070099 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1227644 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL10326038 | 0.88 | — | — | |
| Trimethylammonium SCHEMBL3004571 | 0.85 | THRB (0.33) | — | |
| Water SCHEMBL5973255 | 0.83 | — | — | |
| Hexane SCHEMBL2566208 | 0.82 | TSHR (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111871142-A | Method for separating hydrogen chloride from mixed gas | 吴军祥 | 2020-11-03 | — | — | CN | disclosed |
| CN-104370857-A | Synthesis method of epoxy chloropropane | UNIV CHANGZHOU | 2015-02-25 | — | — | CN | disclosed |
| EP-2634167-A1 | Process for the manufacture of dichloropropanol | Solvay SA (BE) | 2013-09-04 | — | — | EP | disclosed |
| US-20130225843-A1 | PROCESS FOR THE MANUFACTURE OF DICHLOROPROPANOL | SOLVAY SA (BE) | 2013-08-29 | — | — | US | disclosed |
| US-8471074-B2 | Process for the manufacture of dichloropropanol | SOLVAY (SOCIETE ANONYME) (BE) | 2013-06-25 | — | — | US | disclosed |
| WO-2012096585-A2 | METHOD FOR PRODUCTION OF DICHLOROPROPANOLS FROM GLYCEROL | ZAKŁADY CHEMICZNE ZACHEM SPÓŁKA AKCYJNA (PL) | 2012-07-19 | — | — | WO | disclosed |
| US-20100105964-A1 | Process for the manufacture of dichloropropanol | SOLVAY (SOCIETE ANONYME) (BE) | 2010-04-29 | — | — | US | disclosed |