⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9045116 | 0.90 | ALDH1A1 (0.37) | — | |
| SCHEMBL8466514 | 0.80 | GPR84 (0.31) | — | |
| SCHEMBL8466325 | 0.74 | HDAC1 (0.34) | — | |
| SCHEMBL8466166 | 0.74 | CYP1A2 (0.39) | — | |
| SCHEMBL8465267 | 0.70 | FDPS (0.46) | — | |
| SCHEMBL8463176 | 0.66 | MCL1 (0.35) | — | |
| SCHEMBL8752033 | 0.65 | PKM (0.58) | — | |
| SCHEMBL8752020 | 0.63 | POLB (0.63) | — | |
| SCHEMBL8462928 | 0.63 | GPR84 (0.35) | — | |
| SCHEMBL7015079 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0749433-A1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | ZENECA LIMITED (GB) | 1996-12-27 | — | — | EP | disclosed |