⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1420030 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL3600103 | 0.79 | TAAR1 (0.33) | — | |
| SCHEMBL3371 | 0.75 | TSHR (0.48) | — | |
| Water SCHEMBL27821326 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL17134201 | 0.74 | — | — | |
| SCHEMBL3891340 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL20526431 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL28824905 | 0.73 | TSHR (0.46) | — | |
| Benzene SCHEMBL8005754 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL3889885 | 0.73 | TSHR (0.46) | — |
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-1673337-B1 | Arylalkylcarbamate derivatives, preparation method thereof and use of same in therapeutics | SANOFI SA (FR) | 2011-11-23 | — | — | EP | disclosed |