⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3770075 | 0.71 | — | — | |
| SCHEMBL28851773 | 0.70 | — | — | |
| SCHEMBL5352281 | 0.70 | — | — | |
| SCHEMBL8730174 | 0.70 | — | — | |
| SCHEMBL5849521 | 0.67 | — | — | |
| SCHEMBL4102348 | 0.67 | — | — | |
| SCHEMBL283774 | 0.66 | — | — | |
| SCHEMBL5281674 | 0.66 | — | — | |
| SCHEMBL31211722 | 0.66 | — | — | |
| SCHEMBL28262739 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO., LTD. | 2005-09-08 | — | — | US | disclosed |
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |