⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17066178 | 0.79 | MGLL (0.30) | — | |
| SCHEMBL17036626 | 0.79 | MGLL (0.30) | — | |
| SCHEMBL17036616 | 0.79 | MGLL (0.30) | — | |
| SCHEMBL10434498 | 0.69 | — | — | |
| SCHEMBL1044406 | 0.63 | — | — | |
| SCHEMBL14307619 | 0.62 | — | — | |
| SCHEMBL19011372 | 0.60 | — | — | |
| SCHEMBL661313 | 0.60 | — | — | |
| SCHEMBL21707532 | 0.59 | — | — | |
| SCHEMBL6538198 | 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-20150239860-A1 | PROCESS FOR PREPARING MORPHINE COMPOUNDS | BROCK UNIVERSITY (CA) | 2015-08-27 | — | — | US | disclosed |