⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12988565 | 1.00 | — | — | |
| SCHEMBL1521784 | 0.97 | CA1 (0.55) | — | |
| SCHEMBL14907235 | 0.97 | CA1 (0.55) | — | |
| SCHEMBL13565616 | 0.97 | CA1 (0.55) | — | |
| SCHEMBL772025 | 0.97 | CA1 (0.55) | — | |
| SCHEMBL2101944 | 0.97 | CA1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL16830708 | 0.94 | CA1 (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL4301662 | 0.94 | CA1 (0.52) | — | |
| SCHEMBL12989189 | 0.93 | — | — | |
| SCHEMBL3123076 | 0.93 | — | — |
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 621 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3697791-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-08-26 | — | — | EP | claimed |
| WO-2019076358-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-04-25 | — | — | WO | claimed |
| US-10227343-B2 | Isoquiniline and napthalene-substituted compounds as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction | VANDERBILT UNIVERSITY (US) | 2019-03-12 | — | — | US | claimed |
| EP-2976340-B1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-06-13 | — | — | EP | claimed |
| US-20180022745-A1 | ISOQUINILINE AND NAPTHALENE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | VANDERBILT UNIVERSITY | 2018-01-25 | — | — | US | claimed |
| US-20180022746-A1 | INDAZOLE AND AZAINDAZOLE SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | VANDERBILT UNIVERSITY | 2018-01-25 | — | — | US | claimed |
| CN-105503693-B | A kind of synthetic method of almotriptan | 中国农业大学 | 2017-10-31 | — | — | CN | claimed |
| US-9725445-B2 | Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-08 | — | — | US | claimed |
| EP-2716635-B1 | Compounds which selectively modulate the CB2 receptor | BOEHRINGER INGELHEIM INT (DE) | 2017-02-01 | — | — | EP | claimed |
| US-20160280704-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-29 | — | — | US | claimed |
| WO-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | claimed |
| WO-2009082152-A2 | GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT | LG LIFE SCIENCES LTD. (KR) | 2009-07-02 | — | — | WO | claimed |
| EP-1590360-A4 | PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES | IND RES LTD (NZ) | 2009-06-24 | — | — | EP | claimed |
| EP-1828223-A4 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | claimed |
| WO-2008107096-A1 | DIAMINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2008-09-12 | — | — | WO | claimed |
| EP-1828223-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | Panacos Pharmaceuticals, Inc. (US) | 2007-09-05 | — | — | EP | claimed |
| WO-2006053255-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS, INC. (US) | 2006-05-18 | — | — | WO | claimed |
| EP-1590360-A1 | PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES | INDUSTRIAL RESEARCH LIMITED (NZ) | 2005-11-02 | — | — | EP | claimed |
| WO-2004069856-A1 | PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES | INDUSTRIAL RESEARCH LIMITED (NZ) | 2004-08-19 | — | — | WO | claimed |
| US-6765012-B2 | FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION | ALLERGAN, INC. | 2004-07-20 | — | — | US | claimed |