⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9009309 | 0.88 | — | — | |
| SCHEMBL23045123 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL9311820 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL19996082 | 0.78 | — | — | |
| Phosphine SCHEMBL21773356 | 0.74 | TSHR (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL1335284 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL1124307 | 0.73 | — | — | |
| SCHEMBL5344219 | 0.72 | — | — | |
| SCHEMBL410191 | 0.72 | — | — | |
| SCHEMBL409982 | 0.72 | — | — |
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-7064218-B2 | Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity | GENELABS TECHNOLOGIES, INC. (US) | 2006-06-20 | — | — | US | disclosed |
| US-6906103-B2 | Compounds possessing antibacterial, antifungal or antitumor activity | GENELABS TECHNOLOGIES, INC. (US) | 2005-06-14 | — | — | US | disclosed |
| US-6849713-B2 | Compounds possessing antibacterial, antifungal or antitumor activity | GENELABS TECHNOLOGIES, INC. (US) | 2005-02-01 | — | — | US | disclosed |
| EP-0296321-A1 | Synthesis of cisplatinum analogs | AMERICAN CYANAMID COMPANY (US) | 1988-12-28 | — | — | EP | disclosed |