⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17382003 | 0.94 | — | — | |
| SCHEMBL19305832 | 0.91 | — | — | |
| SCHEMBL17382001 | 0.91 | — | — | |
| SCHEMBL29538892 | 0.90 | PDE7A (0.31) | — | |
| SCHEMBL16377735 | 0.90 | PDE7A (0.31) | — | |
| SCHEMBL17382000 | 0.90 | — | — | |
| SCHEMBL17375308 | 0.90 | PDE7A (0.30) | — | |
| SCHEMBL29539301 | 0.86 | PDE7A (0.32) | — | |
| SCHEMBL20988827 | 0.86 | PDE7A (0.32) | — | |
| SCHEMBL29538471 | 0.86 | PDE7A (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 |
|---|---|---|---|---|---|---|---|
| US-20170253605-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | TOCOPHERX, INC. (US) | 2017-09-07 | — | — | US | disclosed |