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 | |
|---|---|---|---|---|
| SCHEMBL2152842 | 0.97 | — | — | |
| SCHEMBL2152767 | 0.97 | — | — | |
| SCHEMBL36039 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL5153424 | 0.95 | MAPT (0.45) | — | |
| Methane SCHEMBL17727999 | 0.95 | — | — | |
| Methoxymethane SCHEMBL77800 | 0.92 | MAPT (0.44) | — | |
| Dimethylamine SCHEMBL7930723 | 0.90 | MAPT (0.42) | — | |
| Alcohol SCHEMBL11062958 | 0.90 | MAPT (0.47) | — | |
| Acetic Acid Methyl Ester SCHEMBL8061108 | 0.90 | ALDH1A1 (0.48) | — | |
| Propane SCHEMBL9161378 | 0.88 | MAPT (0.46) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111704857-A | Three-proofing paint for 5G communication and preparation method thereof | 广东金鸿泰化工新材料有限公司 | 2020-09-25 | — | — | CN | claimed |
| CN-108248238-A | Transfer film layer, its production method and appearance member | 鸿富锦精密工业（深圳）有限公司 | 2018-07-06 | — | — | CN | disclosed |
| EP-1474454-B1 | THERMOSETTING COMPOSITIONS CONTAINING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG IND OHIO INC (US) | 2009-11-18 | — | — | EP | disclosed |
| EP-1474456-B1 | ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG IND OHIO INC (US) | 2007-03-14 | — | — | EP | disclosed |
| US-7132476-B2 | Thermosetting compositions containing alternating copolymers of isobutylene type monomers | PPG INDUSTRIES OHIO, INC. (US) | 2006-11-07 | — | — | US | disclosed |
| US-7125931-B2 | Thermosetting compositions containing alternating copolymers of isobutylene type monomers | PPG INDUSTRIES OHIO, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| US-6992137-B2 | Alternating copolymers of isobutylene type monomers | PPG INDUSTRIES OHIO, INC. (US) | 2006-01-31 | — | — | US | disclosed |
| EP-1474457-A1 | METHOD OF MAKING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG Industries Ohio, Inc. (US) | 2004-11-10 | — | — | EP | disclosed |
| EP-1474454-A1 | THERMOSETTING COMPOSITIONS CONTAINING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG Industries Ohio, Inc. (US) | 2004-11-10 | — | — | EP | disclosed |
| EP-1474456-A1 | ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG Industries Ohio, Inc. (US) | 2004-11-10 | — | — | EP | disclosed |
| US-6784248-B2 | CROSSLINKED BLEND; ELECTRODEPOSITION | PPG INDUSTRIES OHIO, INC. | 2004-08-31 | — | — | US | disclosed |
| US-6686432-B2 | For use as flow control agents in thermosetting electrocoating of conductive substrates serving as electrodes in electrical circuits | PPG INDUSTRIES OHIO, INC. | 2004-02-03 | — | — | US | disclosed |
| US-6677422-B2 | MIXING MOLAR EXCESS OF DONOR MONOMER WITH ETHYLENICALLY UNSATURATED ACCEPTOR MONOMER, POLYMERIZING IN PRESENCE OF FREE RADICAL POLYMERIZATION INITIATOR, FORMING POLYMER CONTAINING ALTERNATING DONOR-ACCEPTOR SEGMENTS | PPG INDUSTRIES OHIO, INC. | 2004-01-13 | — | — | US | disclosed |
| WO-2003070781-A1 | THERMOSETTING COMPOSITIONS CONTAINING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG INDUSTRIES OHIO, INC. (US) | 2003-08-28 | — | — | WO | disclosed |
| WO-2003070793-A1 | ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG INDUSTRIES OHIO, INC. (US) | 2003-08-28 | — | — | WO | disclosed |
| WO-2003070794-A1 | METHOD OF MAKING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS | PPG INDUSTRIES OHIO, INC. (US) | 2003-08-28 | — | — | WO | disclosed |