⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7022733 | 0.83 | CES1 (0.31) | — | |
| SCHEMBL8466595 | 0.75 | — | — | |
| SCHEMBL11525636 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL7024392 | 0.73 | — | — | |
| SCHEMBL7020298 | 0.72 | — | — | |
| SCHEMBL7023641 | 0.72 | — | — | |
| SCHEMBL11530685 | 0.71 | TXNRD1 (0.38) | — | |
| SCHEMBL8466726 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL7017378 | 0.71 | — | — | |
| SCHEMBL8466464 | 0.70 | — | — |
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-B1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | SYNGENTA LTD (GB) | 2003-05-07 | — | — | EP | claimed |