⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30164290 | 0.72 | — | — | |
| SCHEMBL30164414 | 0.69 | — | — | |
| SCHEMBL11166183 | 0.67 | — | — | |
| SCHEMBL1704859 | 0.64 | — | — | |
| SCHEMBL30164294 | 0.64 | — | — | |
| SCHEMBL16768943 | 0.61 | — | — | |
| SCHEMBL5526003 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL22842699 | 0.59 | — | — | |
| SCHEMBL25451635 | 0.57 | — | — | |
| Isobutane SCHEMBL25273675 | 0.57 | — | — |
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-11542231-B2 | Method of producing fluorine-containing sulfide compounds | KANTO DENKA KOGYO CO., LTD. (JP) | 2023-01-03 | — | — | US | disclosed |