⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23183182 | 0.74 | NUDT1 (0.30) | — | |
| SCHEMBL9977711 | 0.70 | — | — | |
| SCHEMBL13818543 | 0.61 | — | — | |
| SCHEMBL16504151 | 0.56 | — | — | |
| SCHEMBL38665495 | 0.56 | — | — | |
| SCHEMBL8266986 | 0.56 | — | — | |
| SCHEMBL17550869 | 0.53 | — | — | |
| SCHEMBL8266445 | 0.51 | — | — | |
| SCHEMBL10058108 | 0.51 | — | — | |
| SCHEMBL16590488 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |