⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17783231 | 0.86 | CCNA2 (0.36) | — | |
| SCHEMBL17783200 | 0.86 | CCNA2 (0.31) | — | |
| SCHEMBL16377732 | 0.84 | PDE7A (0.31) | — | |
| SCHEMBL16377791 | 0.78 | CCNA2 (0.35) | — | |
| SCHEMBL17783237 | 0.74 | KMT2A (0.32) | — | |
| SCHEMBL16377975 | 0.73 | CCNA2 (0.36) | — | |
| SCHEMBL17783251 | 0.73 | RORC (0.31) | — | |
| SCHEMBL16334004 | 0.73 | CNR2 (0.33) | — | |
| SCHEMBL16377700 | 0.73 | CCNA2 (0.37) | — | |
| SCHEMBL22626281 | 0.73 | — | — |
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-3013832-B1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |