⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7718850 | 0.99 | — | — | |
| SCHEMBL8095464 | 0.82 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7721076 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL8104847 | 0.73 | TSHR (0.30) | — | |
| Hydrochloric Acid SCHEMBL7718297 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5480926 | 0.69 | KDM4E (0.44) | — | |
| SCHEMBL8104786 | 0.66 | PRSS1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7718845 | 0.65 | PRSS1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7713852 | 0.64 | PRSS1 (0.35) | — | |
| SCHEMBL8104608 | 0.64 | — | — |
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-1022271-A1 | Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes | L'OREAL (FR) | 2000-07-26 | — | — | EP | claimed |
| EP-1022271-A1 | Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes | L'OREAL (FR) | 2000-07-26 | — | — | EP | disclosed |