⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1586647 | 0.81 | ALDH1A1 (0.33) | — | |
| Hydrazine SCHEMBL28089137 | 0.78 | ERN1 (0.31) | — | |
| SCHEMBL15924877 | 0.73 | — | — | |
| SCHEMBL25151521 | 0.73 | CLK1 (0.31) | — | |
| SCHEMBL27889035 | 0.72 | IRAK4 (0.30) | — | |
| SCHEMBL2325696 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL8931532 | 0.71 | — | — | |
| SCHEMBL21230295 | 0.69 | — | — | |
| SCHEMBL21224645 | 0.69 | IRAK4 (0.30) | — | |
| SCHEMBL1085819 | 0.69 | NPSR1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785657-B2 | Processes for the preparation of pyrazoles | SYNGENTA CROP PROTECTION LLC (US) | 2014-07-22 | — | — | US | disclosed |
| US-20130023668-A1 | PROCESSES FOR THE PREPARATION OF PYRAZOLES | SYNGENTA CROP PROTECTION, LLC (US) | 2013-01-24 | — | — | US | disclosed |
| US-8269020-B2 | Processes for the preparation of pyrazoles | SYNGENTA CROP PROTECTION LLC (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100240907-A1 | PROCESSES FOR THE PREPARATION OF PYRAZOLES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-09-23 | — | — | US | disclosed |