⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27949340 | 0.83 | — | — | |
| SCHEMBL19782857 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL27541545 | 0.81 | CES2 (0.50) | — | |
| SCHEMBL540699 | 0.78 | FFAR3 (0.46) | — | |
| SCHEMBL29110926 | 0.78 | CES2 (0.45) | — | |
| SCHEMBL10709726 | 0.77 | CES2 (0.35) | — | |
| SCHEMBL2245005 | 0.76 | — | — | |
| SCHEMBL20726028 | 0.76 | — | — | |
| SCHEMBL4088252 | 0.76 | — | — | |
| Stearic Acid SCHEMBL28175504 | 0.75 | GPR84 (0.63) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3265448-A1 | RILUZOLE PRODRUGS AND THEIR USE | Biohaven Pharmaceutical Holding Company Ltd. (US) | 2018-01-10 | — | — | EP | disclosed |
| WO-2016140879-A9 | RILUZOLE PRODRUGS AND THEIR USE | BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) | 2016-11-03 | — | — | WO | disclosed |