⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965376 | 0.64 | MEN1 (0.34) | — | |
| Carbamic Acid SCHEMBL4753212 | 0.59 | — | — | |
| SCHEMBL3407188 | 0.47 | NNMT (0.56) | — | |
| SCHEMBL29638783 | 0.47 | — | — | |
| SCHEMBL813450 | 0.43 | PARP1 (0.53) | — | |
| SCHEMBL353610 | 0.43 | — | — | |
| SCHEMBL8951079 | 0.43 | PDPK1 (0.48) | — | |
| SCHEMBL1088195 | 0.43 | MAPK1 (0.48) | — | |
| Urea SCHEMBL51851 | 0.43 | CYP1A2 (0.50) | — | |
| SCHEMBL9978660 | 0.43 | MAPK1 (0.37) | — |
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-20100009969-A1 | Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands | UCB PHARMA, S.A. (BE) | 2010-01-14 | — | — | US | disclosed |