⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8862482 | 0.86 | MAOA (0.56) | — | |
| SCHEMBL1437780 | 0.82 | MAOA (0.52) | — | |
| SCHEMBL1438289 | 0.82 | MAOA (0.52) | — | |
| SCHEMBL1439140 | 0.82 | MAOA (0.52) | — | |
| Hydrochloric Acid SCHEMBL1438304 | 0.81 | MAOA (0.51) | — | |
| Hydrochloric Acid SCHEMBL3797857 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL497091 | 0.78 | HRH3 (0.67) | — | |
| SCHEMBL12448903 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL28763805 | 0.78 | MAOB (0.57) | — | |
| SCHEMBL27808137 | 0.78 | DRD2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5958663-A | MAGENTA COUPER AND STABILIZER | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-09-28 | — | — | US | disclosed |
| US-5763144-A | MAGENTA COUPLERS WITH HETEROCYCLIC ESTER STABILIZERS | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1995022082-A1 | COLOUR-PHOTOGRAPHIC RECORDING MATERIAL | CIBA-GEIGY AG (CH) | 1995-08-17 | — | — | WO | disclosed |