⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2135436 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL2133649 | 0.75 | CA2 (0.39) | — | |
| SCHEMBL2138282 | 0.73 | CA2 (0.31) | — | |
| SCHEMBL2138753 | 0.63 | CHRM1 (0.38) | — | |
| SCHEMBL9943782 | 0.59 | — | — | |
| SCHEMBL12854156 | 0.57 | — | — | |
| SCHEMBL7824707 | 0.57 | — | — | |
| SCHEMBL11061351 | 0.56 | CHRM1 (0.52) | — | |
| SCHEMBL14022376 | 0.56 | — | — | |
| SCHEMBL18729479 | 0.55 | — | — |
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 |