⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL642662 | 0.76 | — | — | |
| SCHEMBL1857923 | 0.71 | GAA (0.32) | — | |
| SCHEMBL63801 | 0.70 | — | — | |
| SCHEMBL642246 | 0.69 | RAB9A (0.31) | — | |
| SCHEMBL642699 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL4324659 | 0.68 | FFAR3 (0.32) | — | |
| SCHEMBL21752643 | 0.68 | — | — | |
| SCHEMBL3943692 | 0.67 | GRIN2B (0.39) | — | |
| SCHEMBL25269053 | 0.66 | GRIN2B (0.32) | — | |
| SCHEMBL5477552 | 0.66 | GRIN2B (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960347-B1 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS | STERIX LTD (GB) | 2012-06-20 | — | — | EP | disclosed |
| US-8119627-B2 | Heterocyclic compounds as inhibitors of 17beta-HSD3 | STERIX LIMITED (GB) | 2012-02-21 | — | — | US | disclosed |