⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1267649 | 0.82 | — | — | |
| SCHEMBL13737167 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL1464837 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL13737275 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL2205781 | 0.81 | — | — | |
| SCHEMBL2082008 | 0.81 | — | — | |
| SCHEMBL5370478 | 0.81 | — | — | |
| SCHEMBL2540265 | 0.79 | STAT3 (0.36) | — | |
| SCHEMBL619635 | 0.78 | — | — | |
| SCHEMBL3248587 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429607-B2 | 5-HT2B receptor antagonists | ASTERAND UK LIMITED (GB) | 2008-09-30 | — | — | US | disclosed |
| EP-1474140-B1 | 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS | ASTERAND UK LTD (GB) | 2007-11-21 | — | — | EP | disclosed |
| US-20050176791-A1 | 5-HT2B receptor antagonists | ASTERAND UK LIMITED (GB) | 2005-08-11 | — | — | US | disclosed |
| US-20040010022-A1 | 5-HT2B receptor antagonists | ASTERAND, INC. | 2004-01-15 | — | — | US | disclosed |