⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8956505 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8975457 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8975856 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8975612 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8975863 | 0.83 | PAOX (0.32) | — | |
| Hydrochloric Acid SCHEMBL8975757 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9128508 | 0.75 | IDO1 (0.32) | — | |
| SCHEMBL8956641 | 0.73 | CYP2C19 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8975310 | 0.72 | CYP2C19 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9125637 | 0.71 | CYP1A2 (0.35) | — |
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-0514282-B1 | Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair | OREAL (FR) | 1996-04-10 | — | — | EP | claimed |