⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6097732 | 0.83 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL6095694 | 0.79 | TDP1 (0.42) | — | |
| SCHEMBL6097281 | 0.79 | JAK2 (0.36) | — | |
| SCHEMBL6099163 | 0.79 | MCL1 (0.43) | — | |
| SCHEMBL6097342 | 0.76 | KDM4E (0.48) | — | |
| SCHEMBL6098488 | 0.74 | S1PR5 (0.37) | — | |
| SCHEMBL6096453 | 0.72 | HIF1A (0.48) | — | |
| SCHEMBL6099743 | 0.72 | KDM4E (0.51) | — | |
| SCHEMBL6098655 | 0.71 | MCL1 (0.41) | — | |
| SCHEMBL6096133 | 0.66 | P2RX3 (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-7022694-B2 | Indoles and indolines having 5-HT activity | PHARMACIA & UPJOHN COMPANY (US) | 2006-04-04 | — | — | US | disclosed |
| EP-1406902-A1 | HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003006466-A1 | HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-01-23 | — | — | WO | disclosed |