⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10533001 | 0.96 | — | — | |
| SCHEMBL12003793 | 0.96 | — | — | |
| SCHEMBL1262242 | 0.96 | — | — | |
| SCHEMBL2104144 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11413381 | 0.92 | — | — | |
| SCHEMBL2034747 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10537914 | 0.87 | — | — | |
| SCHEMBL10910490 | 0.87 | — | — | |
| SCHEMBL3041453 | 0.77 | — | — | |
| SCHEMBL4112982 | 0.76 | — | — |
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-20160096819-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-04-07 | — | — | US | disclosed |
| EP-2997020-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184343-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2014-11-20 | — | — | WO | disclosed |