⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8775519 | 0.82 | — | — | |
| SCHEMBL3546800 | 0.78 | — | — | |
| SCHEMBL3459915 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL6388486 | 0.70 | — | — | |
| SCHEMBL28766725 | 0.70 | — | — | |
| SCHEMBL991570 | 0.66 | — | — | |
| SCHEMBL2665497 | 0.65 | HSD11B1 (0.30) | — | |
| SCHEMBL30687007 | 0.63 | HSD11B1 (0.33) | — | |
| SCHEMBL8838399 | 0.62 | CYP3A4 (0.45) | — | |
| SCHEMBL4201628 | 0.62 | HSD11B1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198282-B2 | Substituted azaquinazolines having an antiviral action | AICURIS GMBH & CO. KG (DE) | 2012-06-12 | — | — | US | disclosed |
| US-20100179174-A1 | SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-07-15 | — | — | US | disclosed |
| US-7662822-B2 | Substituted azaquinazolines having an antiviral action | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-02-16 | — | — | US | disclosed |
| US-20080132515-A1 | antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride | BAYER HEALTHCARE AG (DE) | 2008-06-05 | — | — | US | disclosed |