⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1145084 | 0.88 | — | — | |
| SCHEMBL8557574 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL8560156 | 0.82 | GNAI3 (0.38) | — | |
| SCHEMBL3556221 | 0.79 | L3MBTL1 (0.34) | — | |
| SCHEMBL1144831 | 0.79 | — | — | |
| SCHEMBL3554193 | 0.67 | ALOX15 (0.35) | — | |
| SCHEMBL3549705 | 0.67 | MEN1 (0.37) | — | |
| SCHEMBL20831478 | 0.65 | — | — | |
| SCHEMBL596849 | 0.64 | — | — | |
| SCHEMBL4724009 | 0.63 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | claimed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| US-20210371386-A1 | MANUFACTURE OF HYDRAZINYL COMPOUNDS USEFUL IN THE MANUFACTURE OF PYRAZOLE CARBOXYLIC ACID AND DERIVATIVES, HYDRAZINYL COMPOUNDS AND THEIR USE | SOLVAY SA (BE) | 2021-12-02 | — | — | US | disclosed |
| US-20210040043-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY (BE) | 2021-02-11 | — | — | US | disclosed |
| US-10829456-B2 | Halogen substituted diketones, pyrazole compounds and processes for the manufacture of pyrazole compounds | SOLVAY SA (BE) | 2020-11-10 | — | — | US | disclosed |
| US-20190031616-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY SA (BE) | 2019-01-31 | — | — | US | disclosed |
| EP-2300417-B1 | PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS | BASF SE (DE) | 2015-07-22 | — | — | EP | disclosed |
| US-8592578-B2 | Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters | BASF SE (DE) | 2013-11-26 | — | — | US | disclosed |
| US-8586750-B2 | Method for the production of halogen-substituted 2-(aminomethylidene)-3-oxobutyric acid esters | BASF SE (DE) | 2013-11-19 | — | — | US | disclosed |
| US-20130041147-A1 | Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters | BASF SE (DE) | 2013-02-14 | — | — | US | disclosed |
| US-8314233-B2 | Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters | BASF SE (DE) | 2012-11-20 | — | — | US | disclosed |
| US-5811576-A | 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1998-09-22 | — | — | US | disclosed |
| US-5723648-A | Intermediates for anti-microbial benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0823413-A2 | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |
| US-5591744-A | 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1997-01-07 | — | — | US | disclosed |
| US-5563138-A | 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1996-10-08 | — | — | US | disclosed |
| US-5495020-A | CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5290934-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-03-01 | — | — | US | disclosed |
| EP-0565132-A2 | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-10-13 | — | — | EP | disclosed |
| EP-0287951-A2 | 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-10-26 | — | — | EP | disclosed |