⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27706624 | 0.77 | — | — | |
| SCHEMBL11495455 | 0.76 | — | — | |
| SCHEMBL3433172 | 0.74 | — | — | |
| SCHEMBL11317628 | 0.73 | — | — | |
| SCHEMBL10429633 | 0.72 | TP53 (0.43) | — | |
| SCHEMBL11437298 | 0.69 | HCAR2 (0.35) | — | |
| SCHEMBL7761441 | 0.69 | PTGDR (0.33) | — | |
| SCHEMBL28111034 | 0.68 | HCAR2 (0.32) | — | |
| SCHEMBL25373494 | 0.67 | HCAR3 (0.33) | — | |
| SCHEMBL628228 | 0.66 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2556073-B1 | BICYCLIC PYRIDINYL PYRAZOLES | BAYER IP GMBH (DE) | 2014-07-23 | — | — | EP | disclosed |
| US-8507472-B2 | Bicyclic pyridinylpyrazoles | BAYER CROPSCIENCE AG (DE) | 2013-08-13 | — | — | US | disclosed |
| EP-2571854-A1 | METHOD FOR MANUFACTURING 1 - ALKYL - 3 - DIFLUORMETHYL - 5 - HYDROXYPYRAZOLES | Bayer Intellectual Property GmbH (DE) | 2013-03-27 | — | — | EP | disclosed |
| EP-2556073-A1 | BICYCLIC PYRIMIDINYL PYRAZOLES | Bayer Intellectual Property GmbH (DE) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011144549-A1 | METHOD FOR MANUFACTURING 1 - ALKYL - 3 - DIFLUORMETHYL - 5 - HYDROXYPYRAZOLES | BAYER CROPSCIENCE AG (DE) | 2011-11-24 | — | — | WO | disclosed |
| WO-2011124539-A1 | BICYCLIC PYRIMIDINYL PYRAZOLES | BAYER CROPSCIENCE AG (DE) | 2011-10-13 | — | — | WO | disclosed |
| US-20110251178-A1 | Bicyclic Pyridinylpyrazoles | BAYER CROPSCIENCE AG (DE) | 2011-10-13 | — | — | US | disclosed |
| US-6600071-B2 | Starting materials or intermediates and the cyclization of these under suitable reaction conditions to give compounds of the formula I. The intermediates of the formula II are novel. for argrochemicals | BASF AKTIENGESELLSCHAFT (DE) | 2003-07-29 | — | — | US | disclosed |
| EP-1127050-A1 | METHOD FOR PRODUCING 1-SUBSTITUTED 5-HYDROXYPYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| EP-1077972-A1 | 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | Dow AgroSciences LLC (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-2000027821-A1 | METHOD FOR PRODUCING 1-SUBSTITUTED 5-HYDROXYPYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |
| WO-2000017194-A1 | 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | DOW AGROSCIENCES LLC (US) | 2000-03-30 | — | — | WO | 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-0918755-A1 | 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | Dow AgroSciences LLC (US) | 1999-06-02 | — | — | 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-1998042678-A1 | 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES | DOW AGROSCIENCES LLC (US) | 1998-10-01 | — | — | WO | disclosed |