⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1138674 | 0.90 | ALOX15 (0.31) | — | |
| SCHEMBL12100506 | 0.87 | — | — | |
| SCHEMBL9575295 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL9669950 | 0.84 | ALOX15 (0.31) | — | |
| SCHEMBL11933246 | 0.84 | CRHR1 (0.36) | — | |
| SCHEMBL3141109 | 0.84 | CRHR1 (0.34) | — | |
| SCHEMBL4595178 | 0.84 | — | — | |
| SCHEMBL3133580 | 0.84 | ADH1C (0.32) | — | |
| SCHEMBL13415295 | 0.84 | ADH1C (0.32) | — | |
| SCHEMBL13360051 | 0.83 | KCNH2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5942626-A | REACTING A 5-HALO-SUBSTITUTED BENZOTRIAZOLE WITH A MERCAPTO COMPOUND IN THE PRESENCE OF A GROUP 1A METAL OR GROUP 2A COMPOUND FORMING 5-THIO-SUBSTITUTED 2H-BENZOTRIAZOLES HAVING ENHANCED ABSORBANCE AT LONGER WAVELENGTHS | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-08-24 | — | — | US | disclosed |