⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4525457 | 0.79 | — | — | |
| SCHEMBL4955773 | 0.72 | — | — | |
| SCHEMBL3659944 | 0.69 | CD38 (0.39) | — | |
| SCHEMBL22648474 | 0.67 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL2840541 | 0.66 | — | — | |
| SCHEMBL21999980 | 0.66 | — | — | |
| SCHEMBL17086160 | 0.66 | — | — | |
| SCHEMBL18469867 | 0.66 | — | — | |
| SCHEMBL1607123 | 0.66 | — | — | |
| SCHEMBL25475495 | 0.65 | CSF1R (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050043381-A1 | Aminopyrazole compounds | AGOURON PHARMACEUTICALS, INC. | 2005-02-24 | — | — | US | disclosed |
| WO-2005009435-A1 | AMINOPYRAZOLE COMPOUNDS AND USE AS CHK1 INHIBITORS | PFIZER INC. (US) | 2005-02-03 | — | — | WO | disclosed |