⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4016016 | 0.83 | PDE3B (0.51) | — | |
| SCHEMBL3639622 | 0.80 | GPR84 (0.51) | — | |
| SCHEMBL28202924 | 0.80 | — | — | |
| SCHEMBL791861 | 0.79 | GPR84 (0.54) | — | |
| SCHEMBL14639314 | 0.78 | — | — | |
| SCHEMBL10927286 | 0.78 | — | — | |
| SCHEMBL6294711 | 0.78 | GPR84 (0.38) | — | |
| SCHEMBL7257450 | 0.77 | GPR84 (0.39) | — | |
| Hydrochloric Acid SCHEMBL30429172 | 0.77 | GPR84 (0.37) | — | |
| SCHEMBL10431226 | 0.76 | PDE3B (0.42) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008362-B | A kind of preparation method of pyrimidine derivatives | 杰达维（上海）医药科技发展有限公司 | 2018-08-10 | — | — | CN | claimed |
| US-5869476-A | ANGIOTENSIN II ANTAGONISTS; TREATING CARDIOVASCULAR DISORDERS | BORYUNG PHARMACEUTICAL CO., LTD. (KR) | 1999-02-09 | — | — | US | claimed |
| WO-2024035950-A1 | INHIBITORS OF KIF18A AND USES THEREOF | ACCENT THERAPEUTICS, INC. (US) | 2024-02-15 | — | — | WO | disclosed |
| WO-2023220428-A1 | COMPOSITIONS FOR EDITING ASS1 TRANSCRIPTS AND METHODS THEREOF | WAVE LIFE SCIENCES LTD. (SG) | 2023-11-16 | — | — | WO | disclosed |
| WO-2023028489-A1 | COMPOSITIONS AND METHODS FOR TREATING PROTEOTOXICITY-ASSOCIATED DISEASES | THE JOHNS HOPKINS UNIVERSITY (US) | 2023-03-02 | — | — | WO | disclosed |
| WO-2020224656-A1 | BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-11-12 | — | — | WO | disclosed |
| CN-108395408-A | A kind of pharmaceutical intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-106008362-B | A kind of preparation method of pyrimidine derivatives | 杰达维（上海）医药科技发展有限公司 | 2018-08-10 | — | — | CN | disclosed |
| EP-2498780-B1 | N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-09-07 | — | — | EP | disclosed |
| EP-2499143-B1 | N7-SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-03-16 | — | — | EP | disclosed |
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| US-20110086840-A1 | N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2011-04-14 | — | — | US | disclosed |
| EP-1646615-B1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1646615-B1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20090111822-A1 | 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |
| EP-1646615-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20050059687-A1 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-03-17 | — | — | US | disclosed |
| WO-2004111014-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-23 | — | — | WO | disclosed |
| EP-0514192-A1 | Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups | GLAXO GROUP LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |