⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22267408 | 0.90 | TRPV1 (0.65) | — | |
| SCHEMBL5827244 | 0.89 | — | — | |
| SCHEMBL5716504 | 0.88 | — | — | |
| SCHEMBL22267395 | 0.87 | — | — | |
| SCHEMBL22267315 | 0.87 | — | — | |
| SCHEMBL6302048 | 0.87 | TRPV1 (0.61) | — | |
| SCHEMBL22267312 | 0.86 | — | — | |
| SCHEMBL5674941 | 0.85 | — | — | |
| SCHEMBL5673505 | 0.84 | — | — | |
| SCHEMBL6301868 | 0.84 | — | — |
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 |