⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2582808 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL3042452 | 0.78 | SPHK1 (0.30) | — | |
| SCHEMBL28740956 | 0.74 | DNM1 (0.32) | — | |
| SCHEMBL23093225 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL3045036 | 0.72 | — | — | |
| SCHEMBL29655537 | 0.71 | — | — | |
| SCHEMBL17491818 | 0.71 | SPHK1 (0.36) | — | |
| SCHEMBL9850139 | 0.71 | CHRM1 (0.35) | — | |
| SCHEMBL6538580 | 0.70 | — | — | |
| SCHEMBL25405283 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997046525-A1 | 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1997-12-11 | — | — | WO | disclosed |