⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19813204 | 0.88 | — | — | |
| Tetrafluoroethylene SCHEMBL976370 | 0.87 | — | — | |
| SCHEMBL869721 | 0.86 | — | — | |
| SCHEMBL5680712 | 0.83 | — | — | |
| SCHEMBL30453019 | 0.83 | — | — | |
| SCHEMBL63041 | 0.79 | — | — | |
| SCHEMBL7630401 | 0.78 | — | — | |
| SCHEMBL18621820 | 0.77 | — | — | |
| SCHEMBL10024188 | 0.77 | — | — | |
| SCHEMBL11275368 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4683040-A | FLUOROPOLYMER MEMBRANE, PRETREATMENT TO REMOVE CALCIUM | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1987-07-28 | — | — | US | disclosed |