⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7800923 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL8097862 | 0.87 | — | — | |
| SCHEMBL7807315 | 0.83 | CYP2A6 (0.40) | — | |
| SCHEMBL7805966 | 0.82 | — | — | |
| SCHEMBL7456812 | 0.80 | KEAP1 (0.30) | — | |
| SCHEMBL7800850 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL7800903 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL7460430 | 0.77 | — | — | |
| SCHEMBL7812166 | 0.76 | KMT2A (0.32) | — | |
| SCHEMBL7800787 | 0.76 | — | — |
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 2 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 |
| EP-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | disclosed |