⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22471935 | 0.92 | LMNA (0.43) | — | |
| SCHEMBL28802173 | 0.90 | KDM4C (0.44) | — | |
| SCHEMBL28719034 | 0.90 | KDM4C (0.44) | — | |
| SCHEMBL28776743 | 0.90 | KDM4C (0.44) | — | |
| SCHEMBL29088584 | 0.90 | KDM4C (0.44) | — | |
| SCHEMBL11611237 | 0.90 | KDM4C (0.44) | — | |
| SCHEMBL11242711 | 0.90 | KDM4C (0.44) | — | |
| SCHEMBL29215679 | 0.84 | KDM4C (0.41) | — | |
| SCHEMBL3625316 | 0.82 | — | — | |
| SCHEMBL3768394 | 0.80 | LMNA (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108738320-A | 4- amino -2- (1H- pyrazolos [3 as the cGMP conditioning agents for treating angiocardiopathy, 4-b] pyridin-3-yl) -6- oxos -6,7- dihydro -5H- pyrrolo-es [2,3-d] pyrimidine derivatives and respective (1H- indazole -3- bases) derivative | 默沙东公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-1262586-C | Polymer electrolyte composition and fuel cell | SUMITOMO CHEMICAL CO (JP) | 2006-07-05 | — | — | CN | disclosed |
| EP-1327871-A1 | Method and apparatus for smell detection | ROBERT BOSCH GMBH (DE) | 2003-07-16 | — | — | EP | disclosed |
| CN-1405217-A | Polymer electrolyte composition and fuel cell | SUMITOMO CHEMICAL CO (JP) | 2003-03-26 | — | — | CN | disclosed |