⚠ 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 SCHEMBL6095696 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6097446 | 0.92 | — | — | |
| SCHEMBL6624024 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6111145 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6098135 | 0.78 | GAA (0.31) | — | |
| SCHEMBL5850115 | 0.77 | GBA1 (0.37) | — | |
| SCHEMBL6599196 | 0.76 | GFER (0.32) | — | |
| Hydrochloric Acid SCHEMBL6096654 | 0.76 | FFAR1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6098345 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL2928752 | 0.72 | FFAR1 (0.38) | — |
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 |