⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4224213 | 0.86 | SSTR5 (0.32) | — | |
| SCHEMBL4227035 | 0.85 | SSTR5 (0.40) | — | |
| SCHEMBL4226457 | 0.81 | SSTR5 (0.31) | — | |
| SCHEMBL4226453 | 0.78 | SSTR5 (0.32) | — | |
| SCHEMBL4234149 | 0.78 | SSTR5 (0.34) | — | |
| SCHEMBL3773356 | 0.77 | SSTR5 (0.39) | — | |
| SCHEMBL4236962 | 0.68 | HTR2C (0.42) | — | |
| SCHEMBL1874532 | 0.68 | SSTR5 (0.41) | — | |
| SCHEMBL3785388 | 0.68 | SSTR5 (0.44) | — | |
| SCHEMBL3782621 | 0.66 | SSTR5 (0.43) | — |
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-2001867-B1 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-07-01 | — | — | EP | disclosed |