⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL636907 | 0.90 | KLKB1 (0.34) | — | |
| SCHEMBL636261 | 0.80 | KLKB1 (0.34) | — | |
| SCHEMBL636262 | 0.80 | KLKB1 (0.34) | — | |
| SCHEMBL636676 | 0.79 | ACMSD (0.39) | — | |
| SCHEMBL636675 | 0.79 | ACMSD (0.39) | — | |
| SCHEMBL636325 | 0.78 | MAPT (0.37) | — | |
| SCHEMBL636326 | 0.78 | MAPT (0.37) | — | |
| SCHEMBL16966540 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL4399931 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL636836 | 0.73 | ACMSD (0.37) | — |
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-2009130560-A1 | FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2009-10-29 | — | — | WO | disclosed |