⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22750777 | 0.64 | — | — | |
| SCHEMBL22750790 | 0.62 | GLA (0.38) | — | |
| SCHEMBL22750826 | 0.60 | — | — | |
| SCHEMBL22750800 | 0.60 | NPC1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL15558338 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL15558731 | 0.53 | — | — | |
| SCHEMBL22761169 | 0.53 | — | — | |
| SCHEMBL4675395 | 0.53 | — | — | |
| SCHEMBL3298650 | 0.48 | CTH (0.45) | — | |
| SCHEMBL1233317 | 0.45 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1147116-A1 | BORON STEROID MIMICS AND PHARMACEUTICAL COMPOSITIONS | SRI INTERNATIONAL (US) | 2001-10-24 | — | — | EP | disclosed |
| US-6248305-B1 | ESTROGEN SENSITIVE DISEASES, CANCER | SRI INTERNATIONAL | 2001-06-19 | — | — | US | disclosed |
| WO-2000043401-A1 | BORON STEROID MIMICS AND PHARMACEUTICAL COMPOSITIONS | SRI INTERNATIONAL (US) | 2000-07-27 | — | — | WO | disclosed |