⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8213665 | 0.85 | MGAM (0.43) | — | |
| SCHEMBL8405617 | 0.79 | — | — | |
| SCHEMBL13999481 | 0.78 | — | — | |
| SCHEMBL13580548 | 0.76 | MGAM (0.36) | — | |
| SCHEMBL18213901 | 0.76 | — | — | |
| SCHEMBL13999480 | 0.76 | — | — | |
| SCHEMBL24426549 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL1919830 | 0.74 | — | — | |
| SCHEMBL1549377 | 0.74 | — | — | |
| SCHEMBL8297995 | 0.74 | GAA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931677-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-04-20 | — | — | EP | disclosed |
| WO-2009036055-A1 | VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |