⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL17424558 | 0.79 | — | — | |
| SCHEMBL567250 | 0.77 | — | — | |
| SCHEMBL61227 | 0.75 | — | — | |
| SCHEMBL1965420 | 0.75 | — | — | |
| SCHEMBL108620 | 0.75 | — | — | |
| SCHEMBL19813790 | 0.74 | TSHR (0.45) | — | |
| SCHEMBL6721809 | 0.73 | — | — | |
| Pivalate SCHEMBL28288068 | 0.71 | TSHR (0.47) | — | |
| Methacrylic Acid SCHEMBL17857882 | 0.71 | ALDH1A1 (0.65) | — | |
| SCHEMBL27975285 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539852-B1 | FAST DRYING COATINGS | VOCFREE INC (US) | 2007-05-30 | — | — | EP | claimed |
| CN-104204161-B | Cooling and/or lubricating fluid for wafer production | 巴斯夫欧洲公司 | 2017-05-17 | — | — | CN | disclosed |
| US-20130236386-A1 | COOLING AND/OR LUBRICATING FLUIDS FOR WAFER PRODUCTION | BASF SE (DE) | 2013-09-12 | — | — | US | disclosed |
| US-8287616-B2 | Aqueous cyanide; nonionic surfactant of alcohol, alkylphenol alkoxylates; extract gold, silver, from minerals, scrap; solution ph adjusted with NaOH; reduction in contact angle on glass; duration of cyanide leach decreased, yield of gold or silver increased | BASF AKTIENGESELLSCHAFT (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20120034146-A1 | CARRIER FLUIDS FOR ABRASIVES | BASF SE (DE) | 2012-02-09 | — | — | US | disclosed |
| US-20080196546-A1 | Use of Non-Ionic Surfactants In the Production of Metals | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-21 | — | — | US | disclosed |
| EP-0153692-B1 | METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-07-29 | — | — | EP | disclosed |
| US-4772658-A | ADDITION POLYMERIZATION, POLYISOCYANATE-UNSATURATED ALCOHOL ADDUCT, POLYURETHANES, MOLDINGS | THE DOW CHEMICAL COMPANY (US) | 1988-09-20 | — | — | US | disclosed |
| US-4621150-A | METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1986-11-04 | — | — | US | disclosed |
| EP-0153692-A2 | Method for isomerization a glycidate derivative | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1985-09-04 | — | — | EP | disclosed |