⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8069829 | 0.94 | HTR1D (0.30) | — | |
| SCHEMBL8061012 | 0.83 | KCNH2 (0.34) | — | |
| SCHEMBL7460935 | 0.78 | HTR1D (0.30) | — | |
| SCHEMBL7454062 | 0.78 | — | — | |
| SCHEMBL7461213 | 0.75 | — | — | |
| SCHEMBL7452546 | 0.74 | — | — | |
| SCHEMBL7808521 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL7458238 | 0.73 | — | — | |
| SCHEMBL8099410 | 0.68 | — | — | |
| SCHEMBL7456213 | 0.68 | CHRM2 (0.33) | — |
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-0963982-B1 | New diaminobenzene derivatives and these componends containing colouring agents | WELLA AG (DE) | 2002-03-13 | — | — | EP | disclosed |
| EP-0963982-A2 | New diaminobenzene derivatives and these componends containing colouring agents | Wella Aktiengesellschaft (DE) | 1999-12-15 | — | — | EP | disclosed |