⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4962018 | 0.71 | — | — | |
| Water SCHEMBL5482477 | 0.71 | — | — | |
| SCHEMBL30494479 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL945694 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL8146195 | 0.71 | — | — | |
| SCHEMBL18155135 | 0.71 | — | — | |
| SCHEMBL23466331 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462037 | 0.00 | CA4 (0.50) | — | |
| Potassium Ion SCHEMBL23461973 | 0.00 | CA4 (0.50) | — | |
| SCHEMBL25239884 | 0.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3551616-A1 | METHOD FOR PRODUCING 5-(1-PHENYL-1H-PYRAZOLE-4-YL)-NICOTINAMIDE DERIVATIVES AND SIMILAR COMPOUNDS WITHOUT ISOLATING OR PURIFYING THE PHENYLHYDRAZINE INTERMEDIATE | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-16 | — | — | EP | disclosed |
| WO-2018104214-A1 | METHOD FOR PRODUCING 5-(1-PHENYL-1H-PYRAZOLE-4-YL)-NICOTINAMIDE DERIVATIVES AND SIMILAR COMPOUNDS WITHOUT ISOLATING OR PURIFYING THE PHENYLHYDRAZINE INTERMEDIATE | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-14 | — | — | WO | disclosed |