⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27847740 | 0.81 | — | — | |
| SCHEMBL623092 | 0.79 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28116333 | 0.78 | — | — | |
| SCHEMBL3740352 | 0.72 | HTT (0.30) | — | |
| SCHEMBL29603655 | 0.72 | TDP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6274273 | 0.71 | — | — | |
| SCHEMBL4022987 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL28633858 | 0.71 | — | — | |
| SCHEMBL28266336 | 0.71 | — | — | |
| Bromide SCHEMBL16412115 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016097413-A1 | USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS | L'OREAL (FR) | 2016-06-23 | — | — | WO | disclosed |