⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31535809 | 0.76 | — | — | |
| SCHEMBL5540227 | 0.71 | — | — | |
| SCHEMBL7043528 | 0.67 | — | — | |
| SCHEMBL19243967 | 0.66 | — | — | |
| SCHEMBL5542313 | 0.64 | ALOX15 (0.53) | — | |
| SCHEMBL28930116 | 0.62 | — | — | |
| SCHEMBL5543606 | 0.59 | — | — | |
| SCHEMBL27621079 | 0.59 | — | — | |
| SCHEMBL31535866 | 0.57 | — | — | |
| SCHEMBL5541741 | 0.57 | TLR8 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074867-A | Aminopyrimidinyl compounds as JAK inhibitors | 辉瑞公司 | 2017-08-18 | — | — | CN | disclosed |