⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3357148 | 0.80 | — | — | |
| SCHEMBL24512168 | 0.79 | — | — | |
| SCHEMBL23085696 | 0.79 | — | — | |
| SCHEMBL4755667 | 0.78 | — | — | |
| SCHEMBL15677328 | 0.78 | — | — | |
| SCHEMBL18404146 | 0.78 | — | — | |
| SCHEMBL9668969 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL8133423 | 0.72 | — | — | |
| SCHEMBL1773891 | 0.72 | — | — | |
| SCHEMBL472255 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2352497-B1 | PROCESS OF PREPARATION OF DELTA-9-THC-AMINO ACID ESTERS | UNIV MISSISSIPPI (US) | 2017-02-22 | — | — | EP | disclosed |