⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17696607 | 0.70 | — | — | |
| SCHEMBL13445267 | 0.64 | — | — | |
| SCHEMBL27839089 | 0.63 | — | — | |
| SCHEMBL20017367 | 0.61 | — | — | |
| SCHEMBL30148857 | 0.58 | — | — | |
| SCHEMBL27763908 | 0.58 | — | — | |
| SCHEMBL5973258 | 0.58 | — | — | |
| SCHEMBL320080 | 0.58 | — | — | |
| SCHEMBL17593302 | 0.58 | — | — | |
| SCHEMBL682533 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103687860-B | As P2X7Heterocyclic amide derivatives of receptor antagonists | 埃科特莱茵药品有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-101203516-A | Purine and imidazopyridine derivatives for immunosuppression | PHARMACOPEIA INC (US) | 2008-06-18 | — | — | CN | disclosed |