⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL768751 | 0.78 | — | — | |
| SCHEMBL22367366 | 0.66 | LMNA (0.39) | — | |
| SCHEMBL20320473 | 0.64 | — | — | |
| SCHEMBL15582682 | 0.61 | — | — | |
| SCHEMBL11886174 | 0.60 | IRAK4 (0.39) | — | |
| SCHEMBL19663654 | 0.60 | — | — | |
| SCHEMBL20320474 | 0.60 | NOS3 (0.33) | — | |
| SCHEMBL23153450 | 0.59 | SLC6A3 (0.33) | — | |
| SCHEMBL2258330 | 0.58 | — | — | |
| SCHEMBL961656 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9840517-B2 | Compound inhibiting activities of BTK and/or JAK3 kinases | Beijing Hanmi Pharmaceutical Co., Ltd. (CN) | 2017-12-12 | — | — | US | disclosed |