⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20623995 | 0.78 | DYRK1A (0.38) | — | |
| SCHEMBL20623469 | 0.72 | — | — | |
| SCHEMBL20623293 | 0.71 | — | — | |
| SCHEMBL19119846 | 0.66 | GRM5 (0.45) | — | |
| SCHEMBL19120417 | 0.65 | — | — | |
| SCHEMBL14193495 | 0.64 | — | — | |
| SCHEMBL22279031 | 0.63 | — | — | |
| SCHEMBL24343961 | 0.62 | PDPK1 (0.34) | — | |
| SCHEMBL22864195 | 0.61 | — | — | |
| SCHEMBL21321179 | 0.57 | — | — |
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-10941132-B2 | Pyrazole derivatives | HUA MEDICINE (SHANGHAI) LTD. (CN) | 2021-03-09 | — | — | US | disclosed |
| US-20190002432-A1 | PYRAZOLE DERIVATIVES | HUA MEDICINE (SHANGHAI) LTD. (CN) | 2019-01-03 | — | — | US | disclosed |
| WO-2017117708-A1 | PYRAZOLE DERIVATIVES | HUA MEDICINE (SHANGHAI) LTD. (CN) | 2017-07-13 | — | — | WO | disclosed |