⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8103648 | 0.84 | — | — | |
| SCHEMBL7458242 | 0.80 | — | — | |
| SCHEMBL7808523 | 0.76 | TDP1 (0.33) | — | |
| SCHEMBL7808479 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL7807483 | 0.72 | — | — | |
| SCHEMBL8099970 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL8100256 | 0.69 | — | — | |
| SCHEMBL8099410 | 0.65 | — | — | |
| SCHEMBL7808544 | 0.62 | — | — | |
| SCHEMBL7800920 | 0.62 | MAP4K4 (0.34) | — |
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 |