⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3606933 | 0.88 | PTGS2 (0.31) | — | |
| SCHEMBL3604223 | 0.78 | — | — | |
| SCHEMBL3601719 | 0.65 | L3MBTL1 (0.31) | — | |
| SCHEMBL3605520 | 0.64 | EZH2 (0.36) | — | |
| SCHEMBL3594426 | 0.63 | PTGS2 (0.30) | — | |
| SCHEMBL3601217 | 0.62 | — | — | |
| SCHEMBL1724727 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL3600085 | 0.59 | EZH2 (0.33) | — | |
| SCHEMBL7665776 | 0.59 | PTPN1 (0.33) | — | |
| SCHEMBL3602491 | 0.59 | — | — |
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-20100240743-A1 | CANNABINOID RECEPTOR MODULATOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-23 | — | — | US | disclosed |