⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14838758 | 0.85 | CHRM5 (0.63) | — | |
| SCHEMBL14838772 | 0.85 | CHRM5 (0.65) | — | |
| SCHEMBL14838756 | 0.84 | — | — | |
| SCHEMBL13388618 | 0.84 | — | — | |
| SCHEMBL14838804 | 0.83 | CYP1A2 (0.67) | — | |
| SCHEMBL14838760 | 0.83 | CYP1A2 (0.61) | — | |
| SCHEMBL14838807 | 0.83 | CYP1A2 (0.61) | — | |
| SCHEMBL14838783 | 0.83 | — | — | |
| SCHEMBL14838770 | 0.82 | — | — | |
| SCHEMBL14838729 | 0.82 | — | — |
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-2013049255-A1 | SUBSTITUED 5-(PROP-1-YN-1-YL)PICOLINAMIDE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2013-04-04 | — | — | WO | disclosed |