⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9021587 | 0.76 | — | — | |
| SCHEMBL21876323 | 0.71 | — | — | |
| SCHEMBL9247535 | 0.71 | — | — | |
| SCHEMBL30496559 | 0.71 | — | — | |
| SCHEMBL14060797 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL4276290 | 0.69 | — | — | |
| SCHEMBL20851303 | 0.67 | — | — | |
| Alcohol SCHEMBL28472635 | 0.67 | — | — | |
| SCHEMBL2507702 | 0.65 | — | — | |
| SCHEMBL13921722 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1090619-C | Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds | DOW AGROSCIENCES LLC (US) | 2002-09-11 | — | — | CN | disclosed |
| CN-1224419-A | Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds | DOW AGROSCIENCES LLC (US) | 1999-07-28 | — | — | CN | disclosed |