⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30928708 | 0.67 | NPC1 (0.35) | — | |
| SCHEMBL1428068 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL8554027 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL21410505 | 0.63 | P2RX7 (0.36) | — | |
| SCHEMBL6218692 | 0.61 | BACE1 (0.40) | — | |
| SCHEMBL376385 | 0.61 | ADORA3 (0.39) | — | |
| SCHEMBL1529995 | 0.60 | TOP2A (0.30) | — | |
| SCHEMBL253489 | 0.60 | TBXAS1 (0.31) | — | |
| SCHEMBL20479677 | 0.60 | TBXAS1 (0.35) | — | |
| SCHEMBL30991297 | 0.59 | GGPS1 (0.31) | — |
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-5002941-A | Antiarthritic agents, arachidonic acid metabolism | SMITHKLINE BEECHAM CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |