⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17789673 | 0.78 | PDE7A (0.31) | — | |
| SCHEMBL22626529 | 0.71 | HTR2A (0.31) | — | |
| SCHEMBL22626435 | 0.70 | — | — | |
| SCHEMBL22626388 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL22626562 | 0.68 | — | — | |
| SCHEMBL22626608 | 0.68 | — | — | |
| SCHEMBL17381572 | 0.67 | NR1H4 (0.33) | — | |
| SCHEMBL22626495 | 0.66 | — | — | |
| SCHEMBL19305847 | 0.66 | NR1H4 (0.34) | — | |
| SCHEMBL17382090 | 0.66 | NR1H4 (0.32) | — |
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 |