⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1966530 | 0.69 | — | — | |
| SCHEMBL4904463 | 0.67 | — | — | |
| SCHEMBL12964600 | 0.63 | — | — | |
| SCHEMBL9288609 | 0.62 | — | — | |
| SCHEMBL21401737 | 0.62 | PLAU (0.32) | — | |
| SCHEMBL18745584 | 0.62 | — | — | |
| SCHEMBL22168092 | 0.62 | — | — | |
| SCHEMBL22953688 | 0.62 | — | — | |
| SCHEMBL11220289 | 0.54 | — | — | |
| SCHEMBL1155925 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103044332-A | Process for the preparation of n-substituted pyrazole compounds | ROTAMAGROCHEM INTERNAT CO LTD | 2013-04-17 | — | — | CN | disclosed |
| WO-2013037291-A1 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED PYRAZOLE COMPOUNDS | ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (CN) | 2013-03-21 | — | — | WO | disclosed |