⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4479094 | 0.78 | — | — | |
| SCHEMBL4481026 | 0.78 | — | — | |
| SCHEMBL11361086 | 0.78 | — | — | |
| SCHEMBL3403475 | 0.76 | — | — | |
| SCHEMBL9004531 | 0.75 | — | — | |
| SCHEMBL25227054 | 0.75 | — | — | |
| SCHEMBL6712382 | 0.75 | — | — | |
| SCHEMBL14311731 | 0.73 | — | — | |
| SCHEMBL1132253 | 0.70 | — | — | |
| SCHEMBL10110817 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240208983-A1 | 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 | VANDERBILT UNIVERSITY | 2024-06-27 | — | — | US | disclosed |
| US-20230365568-A1 | PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER | THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2023-11-16 | — | — | US | disclosed |
| US-20230271964-A1 | 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER | NXERA PHARMA UK LIMITED (GB) | 2023-08-31 | — | — | US | disclosed |
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | disclosed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |
| EP-3216787-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-13 | — | — | EP | disclosed |
| US-20160318931-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-11-03 | — | — | US | disclosed |
| EP-2719698-B1 | Methods for preparing aurora kinase inhibitors | MILLENNIUM PHARM INC (US) | 2016-10-05 | — | — | EP | disclosed |
| US-20150293078-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED | 2015-10-15 | — | — | US | disclosed |
| US-20150284365-A1 | COMPOUNDS AND METHODS OF USE THEREOF | GALENEA CORPORATION (US) | 2015-10-08 | — | — | US | disclosed |
| WO-2015144093-A1 | DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-10-01 | — | — | WO | disclosed |
| US-20150031722-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-01-29 | — | — | US | disclosed |
| US-8829204-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-09 | — | — | US | disclosed |
| US-20140163011-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-12 | — | — | US | disclosed |
| US-8153818-B2 | Triazolyl phenyl benzenesulfonamides | CHEMOCENTRYX, INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-20100190762-A1 | TRIAZOLYL PHENYL BENZENESULFONAMIDES | CHEMOCENTRYX, INC. (US) | 2010-07-29 | — | — | US | disclosed |
| WO-2008136815-A2 | 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF | SCHERING CORPORATION (US) | 2008-11-13 | — | — | WO | disclosed |
| US-20080071095-A1 | Cystic fibrosis transmembrane conductance | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-20 | — | — | US | disclosed |
| US-20070037813-A1 | Serine Protease Inhibitors | GENENTECH, INC. (US) | 2007-02-15 | — | — | US | disclosed |