⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2869657 | 1.00 | — | — | |
| SCHEMBL11171126 | 0.81 | ALDH1A1 (0.39) | — | |
| Acetonitrile SCHEMBL27680478 | 0.69 | ALDH1A1 (0.67) | — | |
| Acetonitrile SCHEMBL4869057 | 0.69 | ALDH1A1 (0.67) | — | |
| Water SCHEMBL18836927 | 0.67 | — | — | |
| Water SCHEMBL27804318 | 0.67 | ALDH1A1 (0.91) | — | |
| Water SCHEMBL8957849 | 0.67 | — | — | |
| Acetonitrile SCHEMBL28015776 | 0.67 | ALDH1A1 (0.62) | — | |
| Acrylonitrile SCHEMBL28937817 | 0.67 | ALDH1A1 (0.53) | — | |
| SCHEMBL346922 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017744-B | Powdered carboxylic styrene butadiene rubber and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-07-30 | — | — | CN | claimed |
| CN-108017743-B | Modified carboxylic styrene-butadiene latex and preparation method thereof | 中国石油化工股份有限公司 | 2021-04-09 | — | — | CN | claimed |
| CN-107903188-A | A kind of method for synthesizing 2 acetoxyl group, 3 butene nitrile | 南京红太阳生物化学有限责任公司 | 2018-04-13 | — | — | CN | claimed |
| JP-11071329-A | — | — | None | — | — | JP | disclosed |
| CN-108017744-B | Powdered carboxylic styrene butadiene rubber and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-107903188-A | A kind of method for synthesizing 2 acetoxyl group, 3 butene nitrile | 南京红太阳生物化学有限责任公司 | 2018-04-13 | — | — | CN | disclosed |
| US-7846610-B2 | Electrolyte membrane, production method thereof, and fuel cell | CANON KABUSHIKI KAISHA (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090269646-A1 | ELECTROLYTE MEMBRANE, PRODUCTION METHOD THEREOF, AND FUEL CELL | CANON KABUSHIKI KAISHA (JP) | 2009-10-29 | — | — | US | disclosed |
| US-20090047247-A1 | Pyrrolidine Derivatives | ENANTA PHARMACEUTICALS, INC. | 2009-02-19 | — | — | US | disclosed |
| US-20090022689-A1 | C4-SPIRO-PYRROLIDINE ANTIVIRALS | ENANTA PHARMACEUTICALS, INC. | 2009-01-22 | — | — | US | disclosed |
| WO-2009003009-A1 | SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008050820-A1 | ELECTROLYTE MEMBRANE, PRODUCTION METHOD THEREOF, AND FUEL CELL | CANON KABUSHIKI KAISHA (JP) | 2008-05-02 | — | — | WO | disclosed |
| JP-H1171329-A | PRODUCTION OF ALPHA, BETA-UNSATURATED ALDEHYDE AND INTERMEDIATE USEFUL FOR THE PRODUCTION | KURARAY CO LTD | 1999-03-16 | — | — | JP | disclosed |