⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL965723 | 0.97 | ALDH1A1 (0.48) | — | |
| SCHEMBL2288243 | 0.79 | CYP1A2 (0.54) | — | |
| SCHEMBL2197708 | 0.77 | CA2 (0.48) | — | |
| SCHEMBL967471 | 0.77 | SMN1; SMN2 (0.54) | — | |
| SCHEMBL8951223 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL12802471 | 0.77 | — | — | |
| SCHEMBL2677860 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL103468 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL12367675 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL10791 | 0.74 | ALDH1A1 (0.52) | — |
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 13 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-20100305116-A1 | Compounds Comprising a Cyclobutoxy Group | UCB PHARMA, S.A. (BE) | 2010-12-02 | — | — | US | disclosed |
| EP-2146980-A2 | HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP | UCB Pharma S.A. (BE) | 2010-01-27 | — | — | 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 |
| WO-2008128919-A2 | HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP | UCB PHARMA S.A. (BE) | 2008-10-30 | — | — | WO | disclosed |
| US-4670420-A | ANTICOAGULANTS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1987-06-02 | — | — | US | disclosed |
| US-4227006-A | ANTITHROMBOTICS | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1980-10-07 | — | — | US | disclosed |
| US-3978045-A | ANTITHROMBOTIC AGENTS | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) | 1976-08-31 | — | — | US | disclosed |