⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6472092 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL6455478 | 0.65 | KDM4E (0.60) | — | |
| SCHEMBL512166 | 0.64 | KDM4E (0.40) | — | |
| SCHEMBL6471048 | 0.62 | HRH2 (0.32) | — | |
| SCHEMBL6470544 | 0.61 | HRH2 (0.49) | — | |
| SCHEMBL11800559 | 0.61 | CYP19A1 (0.46) | — | |
| SCHEMBL24287262 | 0.60 | KDM4E (0.37) | — | |
| SCHEMBL6470547 | 0.60 | ADK (0.37) | — | |
| SCHEMBL6469727 | 0.59 | PSMB5 (0.38) | — | |
| SCHEMBL6469725 | 0.59 | HRH2 (0.46) | — |
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 1 patent. 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 |