Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 SCHEMBL28828327 | 0.91 | — | — | |
| Calcium Hypochloride SCHEMBL20269 | 0.89 | — | — | |
| SCHEMBL9064948 | 0.89 | MAPK1 (0.60) | — | |
| SCHEMBL4551808 | 0.80 | — | — | |
| SCHEMBL3802559 | 0.80 | — | — | |
| SCHEMBL1685170 | 0.80 | — | — | |
| Lithium Ion SCHEMBL11211373 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL820062 | 0.80 | — | — | |
| Water SCHEMBL5479890 | 0.80 | — | — | |
| Water SCHEMBL11617084 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101448861-B | Process for preparing polybutadiene | UBE INDUSTRIES | 2012-04-25 | — | — | CN | disclosed |
| EP-2028196-B1 | METHOD FOR PRODUCING POLYBUTADIENE | UBE INDUSTRIES (JP) | 2011-02-02 | — | — | EP | disclosed |
| US-7868103-B2 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2011-01-11 | — | — | US | disclosed |
| US-20090143548-A1 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| CN-101448861-A | Method for producing polybutadiene | UBE INDUSTRIES (JP) | 2009-06-03 | — | — | CN | disclosed |
| EP-2028196-A1 | METHOD FOR PRODUCING POLYBUTADIENE | Ube Industries, Ltd. (JP) | 2009-02-25 | — | — | EP | disclosed |
| US-7273733-B2 | Process for the isolation of polyhydroxybutyrate from Bacillus mycoides RLJ B-017 | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-09-25 | — | — | US | disclosed |
| US-7129068-B2 | Process for the isolation of polyhydroxybutyrate from Bacillus mycoides RLJ B-017 | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-10-31 | — | — | US | disclosed |
| US-20050003498-A1 | Process for the isolation of polyhydroxybutyrate from Bacillus mycoides RLJ B-017 | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH | 2005-01-06 | — | — | US | disclosed |
| US-20040191878-A1 | Process for the isolation of polyhydroxybutyrate from Bacillus mycoides RLJ B-017 | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH | 2004-09-30 | — | — | US | disclosed |
| US-20030027293-A1 | Process for the isolation of polyhydroxybutyrate from Bacillus mycoides RLJ B-017 | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH | 2003-02-06 | — | — | US | disclosed |