⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14216605 | 0.67 | PDE2A (0.37) | — | |
| SCHEMBL24613027 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL24613003 | 0.61 | CYP1A2 (0.38) | — | |
| SCHEMBL24613006 | 0.60 | ACACB (0.34) | — | |
| SCHEMBL23009752 | 0.60 | LTA4H (0.41) | — | |
| SCHEMBL15922973 | 0.56 | CA1 (0.35) | — | |
| SCHEMBL17276013 | 0.55 | SGPL1 (0.42) | — | |
| SCHEMBL419570 | 0.55 | SLC2A1 (0.45) | — | |
| SCHEMBL10600538 | 0.55 | SLC2A1 (0.45) | — | |
| SCHEMBL4354702 | 0.55 | SLC2A1 (0.45) | — |
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-11801528-B2 | Carbene-functionalized composite materials | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2023-10-31 | — | — | US | disclosed |