⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2135917 | 0.95 | — | — | |
| SCHEMBL2134836 | 0.93 | FFAR1 (0.32) | — | |
| SCHEMBL2135445 | 0.89 | CYSLTR2 (0.33) | — | |
| SCHEMBL2134384 | 0.86 | — | — | |
| SCHEMBL2134319 | 0.85 | — | — | |
| SCHEMBL2134368 | 0.85 | — | — | |
| SCHEMBL2133337 | 0.84 | CYSLTR2 (0.35) | — | |
| SCHEMBL2137431 | 0.83 | CES1 (0.30) | — | |
| SCHEMBL2135799 | 0.83 | — | — | |
| SCHEMBL2135186 | 0.83 | CYSLTR2 (0.36) | — |
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-20120101294-A1 | PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-04-26 | — | — | US | disclosed |