⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8573158 | 0.78 | — | — | |
| SCHEMBL5166895 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL22107881 | 0.74 | — | — | |
| SCHEMBL809345 | 0.72 | VCP (0.33) | — | |
| SCHEMBL18241122 | 0.70 | ERN1 (0.35) | — | |
| SCHEMBL5170537 | 0.70 | — | — | |
| SCHEMBL14031904 | 0.70 | IGF1R (0.32) | — | |
| SCHEMBL419449 | 0.69 | VCP (0.38) | — | |
| SCHEMBL1808857 | 0.67 | VCP (0.36) | — | |
| SCHEMBL28165391 | 0.67 | ERN1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1182184-B1 | PROCESS FOR PRODUCING TETRAFLUORO BENZENECARBALDEHYDES AND TETRAFLUORO BENZENEMETHANOLS | SHOWA DENKO KK (JP) | 2007-04-18 | — | — | EP | claimed |
| EP-1182184-B1 | PROCESS FOR PRODUCING TETRAFLUORO BENZENECARBALDEHYDES AND TETRAFLUORO BENZENEMETHANOLS | SHOWA DENKO KK (JP) | 2007-04-18 | — | — | EP | disclosed |
| US-6624336-B1 | Acetalization of tetrafluorobenzonitriles using alcohols, in the presence of mineral acids and metal catalysts to form chemical intermediates for nontoxic insecticides | SHOWA DENKO K.K. (JP) | 2003-09-23 | — | — | US | disclosed |
| EP-1182184-A1 | PROCESS FOR PRODUCING TETRAFLUORO BENZENEMETHANOLS | Showa Denko K K (JP) | 2002-02-27 | — | — | EP | disclosed |