⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6206426 | 0.66 | BUB1 (0.32) | — | |
| SCHEMBL15791399 | 0.66 | — | — | |
| SCHEMBL15630267 | 0.63 | — | — | |
| SCHEMBL8076018 | 0.63 | — | — | |
| SCHEMBL12180911 | 0.62 | — | — | |
| SCHEMBL4671656 | 0.61 | NISCH (0.41) | — | |
| SCHEMBL24591484 | 0.60 | — | — | |
| SCHEMBL2307927 | 0.58 | HTR2A (0.43) | — | |
| SCHEMBL22810042 | 0.58 | — | — | |
| SCHEMBL19593972 | 0.57 | HSD17B10 (0.30) | — |
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-5756417-A | PHOSPHOLANE RING CONTAINING ORGANOMETALLIC POLYMERIZATION CATALYST TO CATALYZE OLEFINICALLY UNSATURATED HYDROCARBONS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |