⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3429243 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL25955192 | 0.73 | SLC6A4 (0.31) | — | |
| SCHEMBL366540 | 0.69 | — | — | |
| SCHEMBL3429247 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7296885 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL12715979 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL20144720 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL13108076 | 0.65 | — | — | |
| SCHEMBL17483144 | 0.65 | — | — | |
| SCHEMBL18218224 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1463506-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES | ASTRAZENECA AB (SE) | 2009-10-21 | — | — | EP | disclosed |