⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8903925 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL8906853 | 0.79 | — | — | |
| SCHEMBL8905739 | 0.79 | CYP2A6 (0.30) | — | |
| SCHEMBL8905749 | 0.79 | — | — | |
| SCHEMBL8904128 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL8906966 | 0.77 | LTA4H (0.36) | — | |
| SCHEMBL8904070 | 0.77 | PTGS1 (0.32) | — | |
| SCHEMBL8904646 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL8906423 | 0.77 | PLA2G7 (0.32) | — | |
| SCHEMBL8905069 | 0.75 | LTA4H (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106999973-A | System and method for discharging edible material | 阿甘芳香和精细化工有限公司 | 2017-08-01 | — | — | CN | disclosed |
| US-5698585-A | FOR SENILE CATARACT CAUSED BY OXIDATION DISORDER; VISION DEFECTS | KIKKOMAN CORPORATION (JP) | 1997-12-16 | — | — | US | disclosed |
| EP-0737476-A2 | A pharmaceutical preparation containing a 3-(2H)-furanone derivative for prevention and/or treatment of cataracts | KIKKOMAN CORPORATION (JP) | 1996-10-16 | — | — | EP | disclosed |