⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3165412 | 0.79 | — | — | |
| SCHEMBL3160135 | 0.76 | — | — | |
| SCHEMBL30286606 | 0.76 | CYP2A6 (0.33) | — | |
| SCHEMBL205562 | 0.76 | CYP2A6 (0.33) | — | |
| SCHEMBL3165632 | 0.72 | AHR (0.37) | — | |
| SCHEMBL28862736 | 0.71 | GPR3 (0.36) | — | |
| SCHEMBL3164250 | 0.69 | BACE1 (0.34) | — | |
| SCHEMBL3155712 | 0.69 | MAPT (0.41) | — | |
| SCHEMBL4924946 | 0.68 | CYP2A6 (0.35) | — | |
| SCHEMBL3164694 | 0.68 | MAOA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1334956-B1 | Method for preparing sulfone or sulfoxide compound | SUMITOMO CHEMICAL CO (JP) | 2010-03-17 | — | — | EP | disclosed |
| US-6916938-B2 | Method for preparing sulfone or sulfoxide compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-07-12 | — | — | US | disclosed |
| US-20030171589-A1 | Method for preparing sulfone or sulfoxide compound | SUMITOMO CHEMICAL COMPANY, LIMITED | 2003-09-11 | — | — | US | disclosed |
| EP-1334956-A2 | Method for preparing sulfone or sulfoxide compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-08-13 | — | — | EP | disclosed |