⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4311579 | 0.85 | CYP2C9 (0.33) | — | |
| SCHEMBL8663065 | 0.77 | CYP2C9 (0.45) | — | |
| SCHEMBL4318926 | 0.67 | MAPK1 (0.30) | — | |
| SCHEMBL6051450 | 0.64 | — | — | |
| SCHEMBL6051456 | 0.64 | — | — | |
| SCHEMBL14220785 | 0.61 | — | — | |
| SCHEMBL17788510 | 0.61 | HRH4 (0.33) | — | |
| SCHEMBL4146105 | 0.61 | — | — | |
| SCHEMBL9619930 | 0.60 | — | — | |
| SCHEMBL9868986 | 0.60 | — | — |
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-7576165-B2 | Having an acid group attached to the hybrid inorganic-organic matrix; and a nitrogen-containing heterocycle attached to the hybrid inorganic-organic matrix, wherein the nitrogen-containing heterocycle is selected from 1,2,4-triazole,1,2,3-triazole, 1H-benzotriazole, pyrimidine, for example; fuel cells | GEORGIA INSTITUTE OF TECHNOLOGY (US) | 2009-08-18 | — | — | US | disclosed |