⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7805960 | 0.74 | — | — | |
| SCHEMBL7456771 | 0.72 | — | — | |
| SCHEMBL7460980 | 0.70 | CHRM2 (0.34) | — | |
| SCHEMBL7456213 | 0.66 | CHRM2 (0.33) | — | |
| SCHEMBL630634 | 0.59 | HDAC6 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7988951 | 0.57 | HDAC6 (0.40) | — | |
| SCHEMBL8099925 | 0.56 | CDK5 (0.30) | — | |
| SCHEMBL28606812 | 0.54 | CDK5 (0.33) | — | |
| SCHEMBL9419852 | 0.53 | HDAC6 (0.57) | — | |
| SCHEMBL6335721 | 0.53 | CYP2A6 (0.44) | — |
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-0943614-B1 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | WELLA AG (DE) | 2001-12-12 | — | — | EP | disclosed |
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | disclosed |
| EP-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | disclosed |