⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8025014 | 0.70 | CA12 (0.35) | — | |
| SCHEMBL30031505 | 0.64 | GSK3A (0.43) | — | |
| SCHEMBL12260190 | 0.64 | — | — | |
| SCHEMBL208590 | 0.61 | — | — | |
| SCHEMBL30565541 | 0.60 | — | — | |
| SCHEMBL10175407 | 0.60 | — | — | |
| SCHEMBL31057492 | 0.60 | — | — | |
| SCHEMBL752875 | 0.57 | — | — | |
| SCHEMBL30703397 | 0.57 | — | — | |
| SCHEMBL19239761 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11091497-B2 | Pyrano[3,4-b]pyrazine kappa opioid receptor ligands for treating addiction, pruritus, pain, and inflammation | THE ROCKEFELLER UNIVERSITY (US) | 2021-08-17 | — | — | US | disclosed |
| EP-0414386-A1 | Condensed pyrimidine derivates | DowElanco (US) | 1991-02-27 | — | — | EP | disclosed |