⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22550364 | 0.75 | — | — | |
| SCHEMBL20829926 | 0.75 | — | — | |
| SCHEMBL29845509 | 0.75 | — | — | |
| SCHEMBL29393124 | 0.75 | — | — | |
| SCHEMBL663225 | 0.75 | — | — | |
| SCHEMBL1180586 | 0.75 | — | — | |
| SCHEMBL15699752 | 0.73 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL11714184 | 0.71 | — | — | |
| SCHEMBL1663357 | 0.71 | — | — | |
| SCHEMBL2067135 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112752748-A | Process for the preparation of the compound 2, 2-difluoro-N- ((1R,2S) -3-fluoro-1-hydroxy-1- (4- (6- (S-methylsulphonimidoyl) pyridin-3-yl) phenyl) propan-2-yl) acetamide | 硕腾服务有限责任公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-101252929-A | G protein-coupled receptor agonists | PROSIDION LTD (GB) | 2008-08-27 | — | — | CN | disclosed |
| EP-0966464-B1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-05-28 | — | — | EP | disclosed |
| US-6114330-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0966464-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998039328-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F.HOFFMANN-LA ROCHE AG (CH) | 1998-09-11 | — | — | WO | disclosed |