⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29000521 | 0.78 | TSHR (0.67) | — | |
| SCHEMBL30830437 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL247403 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL27522 | 0.78 | — | — | |
| SCHEMBL7627037 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL1029224 | 0.76 | TSHR (0.72) | — | |
| SCHEMBL12199291 | 0.76 | DGKA (0.50) | — | |
| SCHEMBL3623852 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27575104 | 0.76 | — | — | |
| SCHEMBL8150201 | 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3645521-A1 | HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | Recordati Industria Chimica E Farmaceutica SPA (IT) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019002571-A1 | HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) | 2019-01-03 | — | — | WO | disclosed |
| CN-104058991-B | Novel Process For The Preparation Of Amino Acid Derivatives | 优时比制药有限公司 | 2017-04-12 | — | — | CN | disclosed |
| EP-3097091-A1 | 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE | AbbVie Inc. (US) | 2016-11-30 | — | — | EP | disclosed |
| WO-2015112445-A1 | 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE | ABBVIE INC. (US) | 2015-07-30 | — | — | WO | disclosed |
| EP-2794597-A1 | PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS | ONO Pharmaceutical Co., Ltd. (JP) | 2014-10-29 | — | — | EP | disclosed |
| EP-2621932-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | Merck Sharp & Dohme Corp. (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2013093484-A1 | PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-06-27 | — | — | WO | disclosed |
| EP-2545060-A1 | FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | Merck Sharp & Dohme Corp. (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| EP-2215085-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | AstraZeneca AB (SE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2010084097-A1 | SPIROINDOLINONE DERIVATIVE PRODRUGS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-29 | — | — | WO | disclosed |
| EP-2132203-A1 | THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2009053737-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |
| WO-2008124757-A1 | THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-10-16 | — | — | WO | disclosed |
| EP-1877385-A1 | PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2008-01-16 | — | — | EP | disclosed |
| EP-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006119451-A1 | PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-11-09 | — | — | WO | disclosed |
| WO-2006028904-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |