⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11337 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL18579828 | 0.95 | — | — | |
| Water SCHEMBL27508109 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL504814 | 0.95 | — | — | |
| SCHEMBL4608962 | 0.80 | — | — | |
| SCHEMBL121560 | 0.80 | — | — | |
| SCHEMBL17784330 | 0.80 | — | — | |
| SCHEMBL4608960 | 0.80 | — | — | |
| SCHEMBL6357579 | 0.80 | — | — | |
| Pyrrolidine SCHEMBL3121539 | 0.80 | ALDH1A1 (0.53) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765771-B2 | Condensed pyridine or condensed pyrimidine derivative, and medicinal agent comprising same | KOWA CO., LTD. (JP) | 2014-07-01 | — | — | US | disclosed |
| EP-2586781-A1 | NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME | KOWA CO. LTD. (JP) | 2013-05-01 | — | — | EP | disclosed |
| US-20130102621-A1 | NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME | KOWA CO., LTD. (JP) | 2013-04-25 | — | — | US | disclosed |
| US-20120046300-A1 | Quinazoline Derivatives as Angiogenesis Inhibitors | HENNEQUIN LAURENT FRANCOIS ANDRE (FR) | 2012-02-23 | — | — | US | disclosed |
| US-7989460-B2 | potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline | ASTRAZENECA AB (SE) | 2011-08-02 | — | — | US | disclosed |
| US-7943787-B2 | Preparation of pentafluorosulfanyl (SF5) heterocycles: pyrroles and thiophenes | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20110040103-A1 | PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2011-02-17 | — | — | US | disclosed |