⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965582 | 0.87 | — | — | |
| SCHEMBL1964873 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL11739223 | 0.83 | HSD11B1 (0.42) | — | |
| SCHEMBL17133291 | 0.78 | — | — | |
| SCHEMBL10331721 | 0.76 | — | — | |
| SCHEMBL329211 | 0.73 | — | — | |
| SCHEMBL329212 | 0.71 | — | — | |
| SCHEMBL18841291 | 0.70 | L3MBTL1 (0.31) | — | |
| SCHEMBL11740229 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL12534311 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170129897-A1 | Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase | LOXO ONCOLOGY, INC. | 2017-05-11 | — | — | US | disclosed |
| WO-2015140566-A1 | PYRAZOLO-PYRIMIDINES AS INHIBITORS OF BTK | REDX PHARMA PLC (GB) | 2015-09-24 | — | — | WO | disclosed |
| US-4356295-A | COORDINATION CATALYSTS | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1982-10-26 | — | — | US | disclosed |