⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10881084 | 0.84 | — | — | |
| SCHEMBL9265514 | 0.82 | RAB9A (0.31) | — | |
| SCHEMBL4216229 | 0.77 | — | — | |
| Methoxymethane SCHEMBL10627012 | 0.75 | CHRM2 (0.31) | — | |
| SCHEMBL11544896 | 0.74 | — | — | |
| SCHEMBL5315431 | 0.74 | — | — | |
| SCHEMBL26690010 | 0.72 | — | — | |
| SCHEMBL11542277 | 0.70 | — | — | |
| SCHEMBL9733164 | 0.69 | — | — | |
| SCHEMBL11541959 | 0.69 | PTPN7 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5691333-A | APPLYING TO CONTROL ARTHROPODS AND NEMATODES | RHONE-POULENC INC. (US) | 1997-11-25 | — | — | US | disclosed |
| US-5629335-A | Pesticidal 1-arylpyrazole-3-carboximidothioic acid esters | RHONE-POULENC INC. (US) | 1997-05-13 | — | — | US | disclosed |