⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42387 | 0.89 | CA12 (0.52) | — | |
| SCHEMBL293117 | 0.85 | CA12 (0.59) | — | |
| SCHEMBL24374 | 0.83 | — | — | |
| SCHEMBL292930 | 0.80 | CA12 (0.52) | — | |
| SCHEMBL967668 | 0.76 | — | — | |
| SCHEMBL498285 | 0.76 | — | — | |
| SCHEMBL3468531 | 0.76 | CA12 (0.50) | — | |
| SCHEMBL331800 | 0.76 | — | — | |
| SCHEMBL498284 | 0.74 | — | — | |
| SCHEMBL6566647 | 0.74 | — | — |
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 14 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-8158790-B2 | Cyclic amine compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| EP-2036896-B1 | CYCLIC AMINE COMPOUND | DAIICHI SANKYO CO LTD (JP) | 2012-03-14 | — | — | EP | 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-20090286807-A1 | CYCLIC AMINE COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-2036896-A1 | CYCLIC AMINE COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2009-03-18 | — | — | EP | disclosed |
| US-4696931-A | CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1987-09-29 | — | — | US | disclosed |
| US-4582837-A | Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity | DR. KARL THOMAE GMBH (DE) | 1986-04-15 | — | — | US | disclosed |
| EP-0098448-A2 | Imidazole derivatives, their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1984-01-18 | — | — | EP | disclosed |