⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5639498 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27455007 | 0.76 | CA2 (0.38) | — | |
| SCHEMBL29098391 | 0.76 | CA2 (0.38) | — | |
| SCHEMBL8315778 | 0.76 | — | — | |
| SCHEMBL3629258 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL3836989 | 0.70 | GAA (0.44) | — | |
| SCHEMBL22556307 | 0.70 | CA2 (0.33) | — | |
| SCHEMBL756075 | 0.70 | CA12 (0.52) | — | |
| SCHEMBL208790 | 0.69 | — | — | |
| SCHEMBL29098389 | 0.69 | CA12 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0337640-B1 | PROCESS FOR PRODUCING SUBSTITUTED VINYL PYRIDINES | Takeda Chemical Industries, Ltd. (JP) | 1993-08-11 | — | — | EP | claimed |
| US-4563446-A | ANTICOAGULANT, ANTISCHEMIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-01-07 | — | — | US | claimed |
| EP-0337640-B1 | PROCESS FOR PRODUCING SUBSTITUTED VINYL PYRIDINES | Takeda Chemical Industries, Ltd. (JP) | 1993-08-11 | — | — | EP | disclosed |
| EP-0337640-A1 | Process for producing substituted vinyl pyridines | Takeda Chemical Industries, Ltd. (JP) | 1989-10-18 | — | — | EP | disclosed |
| EP-0135316-B1 | VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR PRODUCTION | Takeda Chemical Industries, Ltd. (JP) | 1988-07-13 | — | — | EP | disclosed |
| US-4563446-A | ANTICOAGULANT, ANTISCHEMIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-01-07 | — | — | US | disclosed |
| EP-0135316-A1 | Vinyl carboxylic acid derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1985-03-27 | — | — | EP | disclosed |