⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10398259 | 0.74 | LDHA (0.40) | — | |
| SCHEMBL22295462 | 0.74 | — | — | |
| SCHEMBL16174999 | 0.74 | — | — | |
| SCHEMBL11554211 | 0.72 | — | — | |
| SCHEMBL16174868 | 0.70 | — | — | |
| SCHEMBL25480 | 0.69 | — | — | |
| SCHEMBL14445106 | 0.69 | SOAT1 (0.40) | — | |
| SCHEMBL9804965 | 0.68 | — | — | |
| SCHEMBL16174872 | 0.67 | ADH1B (0.48) | — | |
| SCHEMBL9776432 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020263888-A1 | CANNABINOID CONJUGATE MOLECULES | DIVERSE BIOTECH, INC. (US) | 2020-12-30 | — | — | WO | disclosed |