⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7976363 | 0.74 | HTT (0.30) | — | |
| SCHEMBL28742040 | 0.72 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL7162982 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL7698941 | 0.67 | CYP3A4 (0.49) | — | |
| SCHEMBL5702291 | 0.66 | MAPK14 (0.43) | — | |
| SCHEMBL2076292 | 0.66 | PKM (0.51) | — | |
| SCHEMBL10374777 | 0.64 | HTT (0.44) | — | |
| SCHEMBL15767958 | 0.62 | KDM4E (0.40) | — | |
| SCHEMBL15190352 | 0.62 | — | — | |
| SCHEMBL2077100 | 0.61 | TSHR (0.54) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6015911-A | Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds | DOW AGROSCIENCES LLC (US) | 2000-01-18 | — | — | US | claimed |
| EP-0928288-A1 | PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS | Dow AgroSciences LLC (US) | 1999-07-14 | — | — | EP | claimed |
| WO-1998042677-A1 | PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS | DOW AGROSCIENCES LLC (US) | 1998-10-01 | — | — | WO | claimed |
| 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 |
| US-6211403-B1 | CONTACTING CHLORO COMPOUND WITH CARBON MONOXIDE UNDER PRESSURE WITH HEATING IN PRESENCE OF WATER OR LOWER ALKYL ALCOHOL, BASE, CATALYTIC AMOUNT OF PALLADIUM II HALIDE OR ALKANOATE AND TRIHYDROCARBYLPHOSPHINE CHELANT OR PREFORMED COMPLEX THEREOF | DOW AGROSCIENCES LLC | 2001-04-03 | — | — | US | disclosed |
| US-6015911-A | Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds | DOW AGROSCIENCES LLC (US) | 2000-01-18 | — | — | US | disclosed |
| US-6015911-A | Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds | DOW AGROSCIENCES LLC (US) | 2000-01-18 | — | — | US | 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 |
| EP-0928288-A1 | PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS | Dow AgroSciences LLC (US) | 1999-07-14 | — | — | EP | disclosed |
| EP-0928288-A1 | PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS | Dow AgroSciences LLC (US) | 1999-07-14 | — | — | EP | disclosed |
| WO-1998042677-A1 | PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS | DOW AGROSCIENCES LLC (US) | 1998-10-01 | — | — | WO | disclosed |
| WO-1998042677-A1 | PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS | DOW AGROSCIENCES LLC (US) | 1998-10-01 | — | — | WO | disclosed |