⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1494492 | 0.79 | — | — | |
| SCHEMBL2642174 | 0.77 | — | — | |
| SCHEMBL30832971 | 0.76 | KDM4E (0.48) | — | |
| SCHEMBL7160604 | 0.76 | KDM4E (0.48) | — | |
| SCHEMBL1842368 | 0.74 | — | — | |
| SCHEMBL29593270 | 0.74 | L3MBTL1 (0.61) | — | |
| SCHEMBL360470 | 0.74 | L3MBTL1 (0.61) | — | |
| SCHEMBL12450029 | 0.74 | — | — | |
| SCHEMBL1494495 | 0.74 | GRM5 (0.45) | — | |
| SCHEMBL24407379 | 0.73 | — | — |
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-7687502-B2 | Substituted quinazoline or pyridopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| CN-101668747-A | Tetrahydroisoquinolin-1-one derivatives or salts thereof | ASTELLAS PHARMA INC | 2010-03-10 | — | — | CN | disclosed |
| US-20080032996-A1 | Substituted Quinazoline or Pyridopyrimidine Derivative | MSD K.K. (JP) | 2008-02-07 | — | — | US | disclosed |
| EP-1734040-A1 | SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-20 | — | — | EP | disclosed |