⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16849183 | 0.93 | — | — | |
| SCHEMBL6920724 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL12197813 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL24026447 | 0.71 | — | — | |
| SCHEMBL13886937 | 0.71 | DPP4 (0.34) | — | |
| SCHEMBL2603301 | 0.70 | — | — | |
| SCHEMBL17721266 | 0.70 | — | — | |
| SCHEMBL19701914 | 0.69 | — | — | |
| SCHEMBL10726929 | 0.68 | DPP4 (0.30) | — | |
| SCHEMBL6626565 | 0.65 | TSHR (0.34) | — |
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-20140221332-A1 | METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2014-08-07 | — | — | US | disclosed |