⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1905021 | 0.81 | — | — | |
| SCHEMBL1943136 | 0.79 | — | — | |
| SCHEMBL900595 | 0.79 | — | — | |
| SCHEMBL8729098 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL20481635 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL125218 | 0.78 | — | — | |
| SCHEMBL22406221 | 0.76 | — | — | |
| Perchlorate SCHEMBL5454038 | 0.76 | — | — | |
| Acetic Acid SCHEMBL6600577 | 0.74 | — | — | |
| SCHEMBL3291410 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725565-B1 | FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 | BRISTOL MYERS SQUIBB CO (US) | 2013-07-03 | — | — | EP | disclosed |
| EP-1720613-A4 | FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 | BRISTOL MYERS SQUIBB CO (US) | 2009-05-06 | — | — | EP | disclosed |
| US-7417040-B2 | Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-08-26 | — | — | US | disclosed |
| EP-1720613-A2 | FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 | Bristol-Myers Squibb Company (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005084296-A2 | FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-15 | — | — | WO | disclosed |