⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20214066 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL28345369 | 0.73 | — | — | |
| SCHEMBL7053461 | 0.73 | — | — | |
| SCHEMBL7474650 | 0.72 | — | — | |
| SCHEMBL131895 | 0.72 | — | — | |
| SCHEMBL7618854 | 0.72 | — | — | |
| Mecrylate SCHEMBL15701 | 0.72 | — | — | |
| SCHEMBL18655709 | 0.72 | — | — | |
| SCHEMBL3628645 | 0.71 | — | — | |
| SCHEMBL2773358 | 0.70 | IDO1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4525541-A | REACTION WITH AN ACETOACETATE COMPOUND | NIPPON ZEON CO. LTD. (JP) | 1985-06-25 | — | — | US | claimed |
| EP-0099478-B1 | METHOD FOR MODIFYING RUBBERS | NIPPON ZEON CO., LTD. (JP) | 1986-02-26 | — | — | EP | disclosed |
| US-4525541-A | REACTION WITH AN ACETOACETATE COMPOUND | NIPPON ZEON CO. LTD. (JP) | 1985-06-25 | — | — | US | disclosed |
| EP-0099478-A2 | Method for modifying rubbers | NIPPON ZEON CO., LTD. (JP) | 1984-02-01 | — | — | EP | disclosed |