⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15919047 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL7771015 | 0.65 | — | — | |
| SCHEMBL27956808 | 0.63 | RAB9A (0.38) | — | |
| SCHEMBL10159734 | 0.63 | — | — | |
| SCHEMBL11202891 | 0.62 | — | — | |
| SCHEMBL18720501 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL18559687 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL16225095 | 0.60 | GRIK1 (0.31) | — | |
| SCHEMBL21934979 | 0.58 | ADORA2A (0.33) | — | |
| SCHEMBL16232147 | 0.58 | AAK1 (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 |
|---|---|---|---|---|---|---|---|
| US-20170253605-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | TOCOPHERX, INC. (US) | 2017-09-07 | — | — | US | disclosed |