⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6781145 | 1.00 | — | — | |
| SCHEMBL3637981 | 0.93 | — | — | |
| SCHEMBL272549 | 0.93 | — | — | |
| SCHEMBL5468896 | 0.91 | CYP2D6 (0.48) | — | |
| SCHEMBL1098109 | 0.86 | — | — | |
| SCHEMBL5662239 | 0.84 | HRH3 (0.39) | — | |
| SCHEMBL13961615 | 0.84 | CYP2D6 (0.43) | — | |
| SCHEMBL2093275 | 0.82 | HRH3 (0.38) | — | |
| SCHEMBL6369958 | 0.81 | — | — | |
| SCHEMBL16565649 | 0.80 | — | — |
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 392 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140296216-A1 | PYRIMIDO[4,5-D]PYRIMIDINYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2014-10-02 | — | — | US | claimed |
| EP-2746283-A1 | PYRIMIDOPYRIMIDONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) | 2014-06-25 | — | — | EP | claimed |
| US-8344018-B2 | Oxindolyl inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2013-01-01 | — | — | US | claimed |
| US-8134000-B2 | Imidazolyl pyrimidine inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-03-13 | — | — | US | claimed |
| US-8124764-B2 | Fused heterocyclyc inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-02-28 | — | — | US | claimed |
| JP-2011528039-A | — | — | 2011-11-10 | — | — | JP | claimed |
| JP-2011528040-A | — | — | 2011-11-10 | — | — | JP | claimed |
| US-7973164-B2 | Quinoline derivatives | ASTRAZENECA AB (SE) | 2011-07-05 | — | — | US | claimed |
| US-20110135594-A1 | OXINDOLYL INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2011-06-09 | — | — | US | claimed |
| EP-2303881-A2 | FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES | GILEAD SCIENCES, INC. (US) | 2011-04-06 | — | — | EP | claimed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | claimed |
| EP-1218353-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca UK Limited (GB) | 2002-07-03 | — | — | EP | claimed |
| WO-2002030926-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002030924-A1 | QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY | ASTRAZENECA AB (SE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002016352-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-02-28 | — | — | WO | claimed |
| WO-2002002534-A1 | QUINAZOLINES WITH THERAPEUTIC USE | ASTRAZENECA AB (SE) | 2002-01-10 | — | — | WO | claimed |
| WO-2002000644-A1 | GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | ASTRAZENECA AB (SE) | 2002-01-03 | — | — | WO | claimed |
| WO-2001094341-A1 | QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS | ASTRAZENECA AB (SE) | 2001-12-13 | — | — | WO | claimed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | claimed |
| WO-2001004102-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 2001-01-18 | — | — | WO | claimed |