⚠ 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 SCHEMBL6097559 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6095654 | 0.84 | — | — | |
| SCHEMBL6602041 | 0.83 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6097618 | 0.82 | GAA (0.34) | — | |
| Hydrochloric Acid SCHEMBL6095857 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL6604013 | 0.74 | FFAR1 (0.41) | — | |
| SCHEMBL6600074 | 0.74 | SYK (0.33) | — | |
| SCHEMBL6600068 | 0.74 | SYK (0.33) | — | |
| Hydrochloric Acid SCHEMBL6098198 | 0.73 | FFAR1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL6097410 | 0.73 | SYK (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1462453-A1 | Paraphenylenediamin derivatives comprising a substituted pyrrolidinyl group and bearing a cationic radical as well as their use for dyeing keratinic fibres | L'OREAL (FR) | 2004-09-29 | — | — | EP | disclosed |