⚠ 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 | 0.77 | DYRK1A (0.38) | — | |
| SCHEMBL19120577 | 0.76 | — | — | |
| SCHEMBL3464266 | 0.73 | DHODH (0.39) | — | |
| SCHEMBL19120570 | 0.73 | — | — | |
| SCHEMBL20623471 | 0.71 | — | — | |
| SCHEMBL19120270 | 0.67 | GRM5 (0.44) | — | |
| SCHEMBL12121211 | 0.65 | DYRK1A (0.46) | — | |
| SCHEMBL3465033 | 0.64 | DYRK1A (0.33) | — | |
| SCHEMBL3402634 | 0.62 | DYRK1A (0.32) | — | |
| SCHEMBL2875793 | 0.62 | ALOX15 (0.34) | — |
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 |