⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22905345 | 1.00 | — | — | |
| SCHEMBL20880791 | 1.00 | — | — | |
| SCHEMBL19391252 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9486636 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL19477582 | 0.81 | TRPM8 (0.31) | — | |
| SCHEMBL24900889 | 0.80 | — | — | |
| SCHEMBL24253548 | 0.77 | — | — | |
| SCHEMBL109285 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL19004724 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL20683949 | 0.76 | CHRNB2 (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-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-27 | — | — | US | disclosed |