⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11078575 | 0.82 | — | — | |
| SCHEMBL8641987 | 0.82 | EPHX1 (0.41) | — | |
| SCHEMBL15545959 | 0.81 | EPHX2 (0.47) | — | |
| SCHEMBL2722264 | 0.79 | MEN1 (0.48) | — | |
| SCHEMBL723426 | 0.78 | — | — | |
| SCHEMBL13241896 | 0.78 | MEN1 (0.46) | — | |
| SCHEMBL24982521 | 0.76 | CASP2 (0.47) | — | |
| SCHEMBL4809579 | 0.76 | CYP2D6 (0.34) | — | |
| SCHEMBL19113170 | 0.76 | EPHX2 (0.37) | — | |
| SCHEMBL31618226 | 0.76 | TSHR (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022250069-A1 | SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2022-12-01 | — | — | WO | disclosed |