⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9627606 | 0.73 | — | — | |
| SCHEMBL9627604 | 0.73 | — | — | |
| SCHEMBL11683696 | 0.72 | CA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL9627304 | 0.72 | — | — | |
| SCHEMBL179830 | 0.69 | — | — | |
| SCHEMBL8181387 | 0.69 | CA1 (0.31) | — | |
| SCHEMBL28157461 | 0.68 | CA2 (0.33) | — | |
| SCHEMBL7757188 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL7795122 | 0.64 | — | — | |
| SCHEMBL6941022 | 0.64 | APP (0.46) | — |
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-1035171-B1 | Azodyestuffs, their production and use | CIBA SC HOLDING AG (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6160101-A | Azo dyes, their preparation and their use | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2000-12-12 | — | — | US | disclosed |
| EP-1035171-A1 | Azodyestuffs, their production and use | Ciba SC Holding AG (CH) | 2000-09-13 | — | — | EP | disclosed |