⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6444648 | 0.75 | PPARA (0.35) | — | |
| SCHEMBL6347998 | 0.69 | KDM4E (0.37) | — | |
| SCHEMBL2192957 | 0.68 | CYP1A2 (0.34) | — | |
| SCHEMBL207494 | 0.66 | GABRP (0.41) | — | |
| SCHEMBL6372277 | 0.66 | PTPN1 (0.45) | — | |
| SCHEMBL28943131 | 0.65 | GABRP (0.40) | — | |
| SCHEMBL6272306 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL28757438 | 0.64 | PTPN1 (0.41) | — | |
| SCHEMBL233439 | 0.64 | PPARA (0.35) | — | |
| SCHEMBL31269 | 0.64 | BID (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5238978-A | Homogeneous dispersion; safe storage and handling | ELF ATOCHEM NORTH AMERICA INC. (US) | 1993-08-24 | — | — | US | disclosed |