⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1057440 | 0.88 | CHRNA7 (0.48) | — | |
| Hydrochloric Acid SCHEMBL1966490 | 0.86 | CHRNA7 (0.46) | — | |
| SCHEMBL9962908 | 0.76 | — | — | |
| SCHEMBL2420280 | 0.76 | — | — | |
| SCHEMBL7318990 | 0.76 | — | — | |
| SCHEMBL12665769 | 0.76 | CHRNB2 (0.41) | — | |
| SCHEMBL9698974 | 0.73 | CHRNA7 (0.39) | — | |
| SCHEMBL9699145 | 0.71 | CHRNB2 (0.41) | — | |
| SCHEMBL14111918 | 0.71 | CHRNB2 (0.41) | — | |
| SCHEMBL12614597 | 0.71 | CHRNB2 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534521-A | SEROTONIN ANTAGONISTS | G. D. SEARLE & CO. (US) | 1996-07-09 | — | — | US | disclosed |
| US-5521193-A | SEROTONIN AGONISTS AND ANTAGONISTS | G. D. SEARLE & CO. (US) | 1996-05-28 | — | — | US | disclosed |
| WO-1994000454-A1 | BENZIMIDAZOLE COMPOUNDS | G.D. SEARLE & CO. (US) | 1994-01-06 | — | — | WO | disclosed |