⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2138870 | 0.78 | MMP2 (0.32) | — | |
| SCHEMBL2135842 | 0.76 | — | — | |
| SCHEMBL2136685 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL2139465 | 0.75 | RNPEP (0.34) | — | |
| SCHEMBL2138753 | 0.73 | CHRM1 (0.38) | — | |
| SCHEMBL9943763 | 0.64 | — | — | |
| SCHEMBL2136479 | 0.59 | — | — | |
| SCHEMBL13577664 | 0.59 | SLC1A3 (0.41) | — | |
| SCHEMBL2133328 | 0.59 | GABRR1 (0.31) | — | |
| SCHEMBL24633945 | 0.57 | FOLH1 (0.34) | — |
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 |