⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8928199 | 0.75 | KDM4E (0.35) | — | |
| SCHEMBL9108436 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL6436617 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL31544651 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL703870 | 0.72 | TYR (0.31) | — | |
| SCHEMBL10920722 | 0.71 | TYR (0.32) | — | |
| SCHEMBL6660500 | 0.69 | TDP1 (0.34) | — | |
| SCHEMBL31536400 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL3236019 | 0.68 | — | — | |
| SCHEMBL412529 | 0.68 | KDM4E (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110818975-B | Modified conjugated diene polymer composition, method for producing modified conjugated diene polymer composition, and tire | 旭化成株式会社 | 2022-04-01 | — | — | CN | disclosed |