⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10960745 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL3257965 | 0.80 | CYP3A4 (0.39) | — | |
| SCHEMBL4427482 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL4434217 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL9435890 | 0.77 | CYP3A4 (0.48) | — | |
| SCHEMBL14214710 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL28345344 | 0.74 | — | — | |
| SCHEMBL3286933 | 0.74 | — | — | |
| SCHEMBL6429741 | 0.73 | — | — | |
| SCHEMBL8650930 | 0.73 | — | — |
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-2011142410-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY | 三菱化学株式会社 (JP) | 2011-11-17 | — | — | WO | disclosed |