⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11963866 | 0.83 | — | — | |
| SCHEMBL965045 | 0.82 | — | — | |
| SCHEMBL11775378 | 0.80 | CHRM1 (0.42) | — | |
| SCHEMBL969572 | 0.79 | — | — | |
| SCHEMBL6417326 | 0.79 | — | — | |
| SCHEMBL498166 | 0.79 | — | — | |
| SCHEMBL15691907 | 0.79 | — | — | |
| SCHEMBL18123870 | 0.79 | — | — | |
| SCHEMBL18611265 | 0.79 | — | — | |
| SCHEMBL23612991 | 0.77 | ACACB (0.41) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55147201-A | — | — | None | — | — | JP | disclosed |
| CN-114751920-A | Antitumor compounds | 法马马有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-113166102-A | Anticancer compounds | 法马马有限公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2018140339-A1 | AMIDE COMPOUNDS AND USE THEREOF | ALPHALA CO., LTD. (TW) | 2018-08-02 | — | — | WO | disclosed |
| CN-106045962-A | Isoxazoline derivatives as pesticidal compounds | 先正达参股股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| US-9422311-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-23 | — | — | US | disclosed |
| US-20150274753-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY | 2015-10-01 | — | — | US | disclosed |
| US-8629150-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-01-14 | — | — | US | disclosed |
| 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-20130078214-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-28 | — | — | US | 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 |
| EP-1697344-A2 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058841-A2 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2005-06-30 | — | — | WO | disclosed |
| JP-S55147201-A | IMPROVED AGRICULTURAL INSECTICIDAL EMULSION | HOKKO CHEM IND CO LTD | 1980-11-17 | — | — | JP | disclosed |