⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20170868 | 0.84 | — | — | |
| SCHEMBL20170744 | 0.84 | — | — | |
| SCHEMBL23132545 | 0.83 | — | — | |
| SCHEMBL20170605 | 0.80 | ADRA1A (0.35) | — | |
| SCHEMBL20170612 | 0.80 | ADRA1A (0.35) | — | |
| SCHEMBL20170772 | 0.76 | HTR1A (0.33) | — | |
| SCHEMBL20170672 | 0.76 | OPRD1 (0.37) | — | |
| SCHEMBL20170616 | 0.74 | — | — | |
| SCHEMBL20170882 | 0.74 | — | — | |
| SCHEMBL20170810 | 0.73 | ACHE (0.30) | — |
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-2453895-B1 | (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF | MALLINCKRODT LLC (US) | 2018-05-23 | — | — | EP | disclosed |