⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77943 | 0.70 | — | — | |
| SCHEMBL6914200 | 0.67 | — | — | |
| SCHEMBL372444 | 0.67 | — | — | |
| SCHEMBL2733472 | 0.67 | — | — | |
| SCHEMBL1978409 | 0.67 | — | — | |
| SCHEMBL4358584 | 0.67 | — | — | |
| SCHEMBL2732422 | 0.67 | — | — | |
| SCHEMBL20008725 | 0.67 | — | — | |
| SCHEMBL2563802 | 0.67 | — | — | |
| Bromide SCHEMBL25265853 | 0.64 | — | — |
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-20180085366-A1 | OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE | ELYSIUM THERAPEUTICS, INC. | 2018-03-29 | — | — | US | disclosed |