⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8522405 | 0.67 | — | — | |
| SCHEMBL7521728 | 0.67 | — | — | |
| SCHEMBL10445233 | 0.62 | — | — | |
| SCHEMBL27635847 | 0.62 | — | — | |
| SCHEMBL7302232 | 0.62 | — | — | |
| SCHEMBL29050085 | 0.62 | — | — | |
| SCHEMBL10441435 | 0.61 | — | — | |
| SCHEMBL28601121 | 0.61 | — | — | |
| SCHEMBL5354811 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL6778121 | 0.60 | MEN1 (0.31) | — |
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-0465369-A1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1992-01-08 | — | — | EP | disclosed |