⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9076561 | 0.89 | — | — | |
| SCHEMBL9075497 | 0.88 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL9076283 | 0.87 | FPR1 (0.33) | — | |
| SCHEMBL12602531 | 0.84 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9076962 | 0.82 | — | — | |
| SCHEMBL9076063 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL12602573 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL1038205 | 0.80 | — | — | |
| SCHEMBL1034650 | 0.80 | — | — | |
| SCHEMBL9078241 | 0.79 | NR3C1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0282944-B1 | Pyrazole derivative and herbicide containing it | NISSAN CHEMICAL IND LTD (JP) | 1996-09-11 | — | — | EP | claimed |
| CN-1023011-C | Herbicide composition containing pyrazole derivative | NISSAN CHEMICAL IND LTD (JP) | 1993-12-08 | — | — | CN | claimed |
| CN-88101455-A | Pyrazole derivatives and herbicides containing the same | — | 1988-09-28 | — | — | CN | claimed |
| EP-0282944-A2 | Pyrazole derivative and herbicide containing it | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1988-09-21 | — | — | EP | claimed |