⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2136003 | 0.94 | CA1 (0.31) | — | |
| SCHEMBL2131308 | 0.93 | EPHX1 (0.32) | — | |
| SCHEMBL2137178 | 0.90 | — | — | |
| SCHEMBL2133934 | 0.88 | — | — | |
| SCHEMBL2133198 | 0.88 | — | — | |
| SCHEMBL2135330 | 0.88 | — | — | |
| SCHEMBL2133606 | 0.87 | HDAC3 (0.32) | — | |
| SCHEMBL2137106 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL2135674 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL2132664 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2664613-A1 | Process for producing amide compounds | Sumitomo Chemical Company, Limited (JP) | 2013-11-20 | — | — | EP | disclosed |
| EP-2662355-A1 | Process for producing a (fluoroalkylthio) acetonitrile | Sumitomo Chemical Company, Limited (JP) | 2013-11-13 | — | — | EP | disclosed |
| EP-2465846-A1 | PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS | Sumitomo Chemical Company, Limited (JP) | 2012-06-20 | — | — | EP | disclosed |
| US-20120101294-A1 | PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-04-26 | — | — | US | disclosed |