⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10786570 | 1.00 | — | — | |
| SCHEMBL8976379 | 0.87 | FOLH1 (0.34) | — | |
| SCHEMBL19862685 | 0.84 | — | — | |
| SCHEMBL12681624 | 0.84 | — | — | |
| SCHEMBL18881182 | 0.84 | — | — | |
| SCHEMBL8975574 | 0.84 | FOLH1 (0.38) | — | |
| SCHEMBL10172376 | 0.81 | — | — | |
| SCHEMBL9954953 | 0.81 | — | — | |
| SCHEMBL4297377 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11129917 | 0.79 | — | — |
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 3 patents. 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 |
| EP-0108406-B1 | BIFUNCTIONAL CHELATING AGENTS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-05-20 | — | — | EP | claimed |
| EP-0108406-B1 | BIFUNCTIONAL CHELATING AGENTS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-05-20 | — | — | EP | disclosed |