⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9611579 | 0.92 | — | — | |
| SCHEMBL25253719 | 0.86 | — | — | |
| SCHEMBL9611578 | 0.82 | — | — | |
| SCHEMBL10642986 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL21924487 | 0.75 | — | — | |
| SCHEMBL21924463 | 0.75 | — | — | |
| SCHEMBL21924469 | 0.75 | — | — | |
| SCHEMBL20637770 | 0.75 | — | — | |
| SCHEMBL9611575 | 0.73 | PKM (0.32) | — | |
| SCHEMBL21924474 | 0.73 | — | — |
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-8563769-B2 | Fluorine-containing compound, fluorine-containing surfactant and compositions containing same | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2013-10-22 | — | — | US | disclosed |
| US-20120132103-A1 | FLUORINE-CONTAINING COMPOUND, FLUORINE-CONTAINING SURFACTANT AND COMPOSITIONS CONTAINING SAME | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-05-31 | — | — | US | disclosed |