⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5888235 | 0.71 | — | — | |
| SCHEMBL27639 | 0.67 | — | — | |
| SCHEMBL6427950 | 0.67 | — | — | |
| SCHEMBL1431147 | 0.67 | — | — | |
| SCHEMBL17157487 | 0.67 | — | — | |
| SCHEMBL8508693 | 0.67 | — | — | |
| SCHEMBL580953 | 0.67 | — | — | |
| SCHEMBL2059958 | 0.64 | — | — | |
| SCHEMBL3302565 | 0.62 | — | — | |
| SCHEMBL18584876 | 0.62 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4287146-B2 | — | — | 2009-07-01 | — | — | JP | claimed |
| JP-2004517862-A | — | — | 2004-06-17 | — | — | JP | claimed |
| EP-1392312-A1 | TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2004-03-03 | — | — | EP | claimed |
| WO-2002055083-A1 | TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | claimed |
| EP-0454204-B1 | Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer | DUPHAR INT RES (NL) | 1995-06-28 | — | — | EP | claimed |
| WO-2018029602-A1 | C-3 NOVEL TRITERPENONE WITH C-28 HETEROCYCLE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2018-02-15 | — | — | WO | disclosed |
| US-9062002-B2 | Substituted pyridine derivatives as FabI inhibitors | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-23 | — | — | US | disclosed |
| CN-104583212-A | Pyrimidinone derivatives as antimalarial agents | SANOFI SA | 2015-04-29 | — | — | CN | disclosed |
| CN-102659813-B | 2-((2-(3-aminopiperidine-1)-4-oxythiophene (3, 2-d) pyrimidine-3(4H)-methyl) polymorphic benzonitrile, and preparation method and pharmacological applications thereof | SHANGHAI INST MATERIA MEDICA | 2015-01-07 | — | — | CN | disclosed |
| CN-102659813-B | 2-((2-(3-aminopiperidine-1)-4-oxythiophene (3, 2-d) pyrimidine-3(4H)-methyl) polymorphic benzonitrile, and preparation method and pharmacological applications thereof | SHANGHAI INST MATERIA MEDICA | 2015-01-07 | — | — | CN | disclosed |
| US-20140336153-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS | AURIGENE DISCOVERY TECH LTD (IN) | 2014-11-13 | — | — | US | disclosed |
| CN-102659813-A | 2-((2-(3-aminopiperidine-1)-4-oxythiophene (3, 2-d) pyrimidine-3(4H)-methyl) polymorphic benzonitrile, and preparation method and pharmacological applications thereof | SHANGHAI INST MATERIA MEDICA | 2012-09-12 | — | — | CN | disclosed |
| US-20060111303-A1 | Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-05-25 | — | — | US | disclosed |
| WO-2005030757-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-04-07 | — | — | WO | disclosed |
| EP-1392312-A1 | TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2004-03-03 | — | — | EP | disclosed |
| EP-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |
| WO-2002055083-A1 | TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |
| EP-0454204-B1 | Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer | DUPHAR INT RES (NL) | 1995-06-28 | — | — | EP | disclosed |
| US-5252191-A | Method for the photochemical isomerization of organic compounds under the influence of a photosensitizer | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1993-10-12 | — | — | US | disclosed |