⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL28357855 | 0.91 | TAAR1 (0.58) | — | |
| SCHEMBL8227275 | 0.87 | TAAR1 (0.44) | — | |
| SCHEMBL17348281 | 0.81 | MEN1 (0.40) | — | |
| SCHEMBL4399626 | 0.79 | TAAR1 (0.74) | — | |
| SCHEMBL9200966 | 0.79 | TAAR1 (0.60) | — | |
| SCHEMBL3514627 | 0.78 | TAAR1 (0.54) | — | |
| SCHEMBL29353789 | 0.77 | — | — | |
| SCHEMBL6882 | 0.77 | — | — | |
| SCHEMBL42451 | 0.75 | — | — | |
| SCHEMBL4544274 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970316-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-1904504-B1 | INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING | METHYLGENE INC (CA) | 2014-03-19 | — | — | EP | disclosed |