Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dapansutrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Dapansutrile SCHEMBL9934796 | 0.81 | — | — | |
| Dapansutrile SCHEMBL9935165 | 0.79 | — | — | |
| SCHEMBL9428536 | 0.73 | — | — | |
| SCHEMBL19661011 | 0.70 | — | — | |
| SCHEMBL5663638 | 0.69 | NLRP3 (0.60) | — | |
| SCHEMBL25280162 | 0.69 | — | — | |
| SCHEMBL14325274 | 0.67 | — | — | |
| Dapansutrile SCHEMBL11291946 | 0.66 | NLRP3 (0.59) | — | |
| SCHEMBL210531 | 0.65 | — | — | |
| SCHEMBL2127275 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10273203-B2 | Deuterated 3-methanesulfonylpropionitrile | OLATEC THERAPEUTICS LLC (US) | 2019-04-30 | — | — | US | disclosed |
| US-20180290971-A1 | DEUTERATED 3-METHANESULFONYLPROPIONITRILE | OLATEC THERAPEUTICS, INC. | 2018-10-11 | — | — | US | disclosed |