⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5528162 | 0.87 | TRPV1 (0.72) | — | |
| SCHEMBL22267360 | 0.87 | TRPV1 (0.75) | — | |
| SCHEMBL5674637 | 0.84 | TRPV1 (0.64) | — | |
| SCHEMBL22267363 | 0.83 | — | — | |
| SCHEMBL5947651 | 0.82 | TRPV1 (0.62) | — | |
| SCHEMBL5715853 | 0.82 | — | — | |
| SCHEMBL22267361 | 0.82 | TRPV1 (0.73) | — | |
| SCHEMBL6304141 | 0.82 | DUSP3 (0.54) | — | |
| SCHEMBL22267420 | 0.81 | — | — | |
| SCHEMBL5673037 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10725055-B1 | Compounds for carbonyl sulfide/carbon disulfide/hydrogen sulfide release and methods of making and using the same | UNIVERSITY OF OREGON (US) | 2020-07-28 | — | — | US | disclosed |