⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28551043 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL2715190 | 0.83 | — | — | |
| SCHEMBL4129624 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL28154985 | 0.79 | TAAR1 (0.52) | — | |
| SCHEMBL3332936 | 0.78 | PNMT (0.31) | — | |
| SCHEMBL14931630 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL7666748 | 0.76 | CTRC (0.40) | — | |
| SCHEMBL874921 | 0.76 | — | — | |
| SCHEMBL6646274 | 0.75 | — | — | |
| SCHEMBL27830243 | 0.75 | TAAR1 (0.30) | — |
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-20090036474-A1 | Quinazoline derivatives for use against cancer | PLE PATRICK | 2009-02-05 | — | — | US | disclosed |