⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13666910 | 0.73 | CA14 (0.37) | — | |
| SCHEMBL27029996 | 0.72 | — | — | |
| SCHEMBL27872624 | 0.72 | — | — | |
| Lithium Ion SCHEMBL30744136 | 0.70 | — | — | |
| SCHEMBL4943988 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL27934463 | 0.67 | — | — | |
| SCHEMBL13666914 | 0.67 | ALDH1A1 (0.59) | — | |
| SCHEMBL28197207 | 0.67 | — | — | |
| Lithium SCHEMBL31298444 | 0.67 | — | — | |
| SCHEMBL28197277 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102439009-B | 7-aryl-1, 2, 4-triazolo [4,3-a ] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors | ORTHO MCNEIL JANSSEN PHARM | 2014-11-12 | — | — | CN | disclosed |