⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8458391 | 0.58 | — | — | |
| SCHEMBL6440831 | 0.54 | — | — | |
| SCHEMBL8015655 | 0.53 | — | — | |
| SCHEMBL24960299 | 0.51 | ALDH1A1 (0.32) | — | |
| SCHEMBL18676893 | 0.49 | KDM4E (0.31) | — | |
| SCHEMBL8973491 | 0.48 | — | — | |
| SCHEMBL17035445 | 0.45 | ALDH1A1 (0.32) | — | |
| SCHEMBL25476826 | 0.45 | — | — | |
| SCHEMBL12971961 | 0.45 | OPRM1 (0.36) | — | |
| SCHEMBL1090888 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0577816-B1 | POLYSILANE-BASED COMPOSITION | FLAMEL TECH SA (FR) | 1999-04-07 | — | — | EP | disclosed |