⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL966609 | 0.81 | MMP1 (0.47) | — | |
| SCHEMBL1896878 | 0.76 | EPHX1 (0.52) | — | |
| SCHEMBL7859262 | 0.73 | CA12 (0.42) | — | |
| SCHEMBL8172237 | 0.73 | CA12 (0.42) | — | |
| SCHEMBL965867 | 0.71 | CYP2D6 (0.50) | — | |
| SCHEMBL969497 | 0.70 | — | — | |
| SCHEMBL965921 | 0.70 | — | — | |
| SCHEMBL28091562 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL104169 | 0.69 | — | — | |
| SCHEMBL748166 | 0.69 | CA12 (0.39) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2128139-B1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO INC (JP) | 2013-08-07 | — | — | EP | disclosed |
| US-8344156-B2 | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2013-01-01 | — | — | US | disclosed |
| US-7884216-B2 | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-02-08 | — | — | US | disclosed |
| US-20110015406-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2263999-A1 | METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE | Mitsui Chemicals Agro, Inc. (JP) | 2010-12-22 | — | — | EP | disclosed |
| US-20100016612-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128139-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-20070275968-A1 | Substituted Biphenyl Derivative | SANKYO COMPANY, LIMITED (JP) | 2007-11-29 | — | — | US | disclosed |
| EP-1798229-A1 | SUBSTITUTED BIPHENYL DERIVATIVE | Sankyo Company, Limited (JP) | 2007-06-20 | — | — | EP | disclosed |
| US-6967196-B1 | Sulfonamide compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-11-22 | — | — | US | disclosed |
| US-6028033-A | FOR CONTROLLING UNDESIRED VEGETATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-22 | — | — | US | disclosed |
| EP-0847396-A1 | 3(2H)-FURANONE DERIVATIVES | Korea Research Institute of Chemical Technology (KR) | 1998-06-17 | — | — | EP | disclosed |
| EP-0815083-A1 | N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-07 | — | — | EP | disclosed |
| WO-1997002263-A1 | 3(2H)-FURANONE DERIVATIVES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1997-01-23 | — | — | WO | disclosed |
| WO-1996037471-A1 | N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-11-28 | — | — | WO | disclosed |
| US-5302711-A | Ester cleavage process for use with β-lactams | ELI LILLY AND COMPANY (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0557035-A2 | An ester cleavage process for use with beta-lactams | ELI LILLY AND COMPANY (US) | 1993-08-25 | — | — | EP | disclosed |