⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10981810 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL10983861 | 0.87 | NPSR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL10982432 | 0.86 | CHRM5 (0.38) | — | |
| SCHEMBL16865154 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL16865199 | 0.69 | NPSR1 (0.30) | — | |
| SCHEMBL11673024 | 0.67 | CYP2D6 (0.32) | — | |
| SCHEMBL18556468 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL10266171 | 0.66 | HPGD (0.33) | — | |
| SCHEMBL11180053 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL16865195 | 0.64 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150188193-A1 | NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY | FUJIFILM CORPORATION (JP) | 2015-07-02 | — | — | US | disclosed |
| US-20150188193-A1 | NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY | FUJIFILM CORPORATION (JP) | 2015-07-02 | — | — | US | disclosed |