⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17789675 | 0.92 | — | — | |
| SCHEMBL24519348 | 0.89 | — | — | |
| SCHEMBL17789665 | 0.84 | NR1H4 (0.30) | — | |
| SCHEMBL16333609 | 0.82 | CCNA2 (0.39) | — | |
| SCHEMBL16377693 | 0.82 | PIK3CD (0.35) | — | |
| SCHEMBL24519331 | 0.82 | — | — | |
| SCHEMBL17789661 | 0.82 | NR1H4 (0.32) | — | |
| SCHEMBL17783213 | 0.82 | CCNA2 (0.37) | — | |
| SCHEMBL16377691 | 0.81 | PIK3CD (0.37) | — | |
| SCHEMBL22626591 | 0.81 | CCNA2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160152626-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-06-02 | — | — | US | disclosed |