⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22832657 | 0.76 | — | — | |
| SCHEMBL4675784 | 0.76 | — | — | |
| SCHEMBL4595703 | 0.76 | — | — | |
| SCHEMBL22833057 | 0.72 | MME (0.44) | — | |
| SCHEMBL20723571 | 0.70 | XDH (0.38) | — | |
| SCHEMBL31261458 | 0.68 | MME (0.38) | — | |
| SCHEMBL31261454 | 0.68 | MME (0.38) | — | |
| SCHEMBL94753 | 0.68 | L3MBTL1 (0.38) | — | |
| SCHEMBL3882941 | 0.66 | PTPN2 (0.41) | — | |
| SCHEMBL20876195 | 0.65 | KDM4E (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102459221-A | Thiophene derivatives | SUMITOMO CHEMICAL CO | 2012-05-16 | — | — | CN | disclosed |
| US-20120065231-A1 | THIOPHENE DERIVATIVE | SUMITOMO CHEMICAL COMPANY LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| EP-2426117-A1 | THIOPHENE DERIVATIVE | Sumitomo Chemical Company, Limited (JP) | 2012-03-07 | — | — | EP | disclosed |