⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7978276 | 0.79 | HRH4 (0.49) | — | |
| SCHEMBL7978699 | 0.78 | MAPT (0.52) | — | |
| SCHEMBL7996176 | 0.77 | SMO (0.51) | — | |
| SCHEMBL5386406 | 0.77 | HSD17B10 (0.45) | — | |
| SCHEMBL6223366 | 0.76 | — | — | |
| SCHEMBL7989669 | 0.76 | KCNH2 (0.35) | — | |
| SCHEMBL7447432 | 0.76 | HSD17B10 (0.47) | — | |
| SCHEMBL7996524 | 0.75 | HTR2C (0.49) | — | |
| SCHEMBL7978241 | 0.74 | HTR2C (0.50) | — | |
| SCHEMBL4850850 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001070728-A1 | 2-[NITROGEN-HETEROCYCLIC]PYRIMIDONE DERIVATIVES | SANOFI-SYNTHELABO (FR) | 2001-09-27 | — | — | WO | claimed |