⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3670178 | 0.97 | — | — | |
| SCHEMBL11448038 | 0.83 | — | — | |
| SCHEMBL1852351 | 0.82 | CA1 (0.30) | — | |
| SCHEMBL5149653 | 0.80 | — | — | |
| SCHEMBL1852458 | 0.80 | — | — | |
| SCHEMBL9289667 | 0.80 | CA5A (0.33) | — | |
| SCHEMBL14237925 | 0.78 | — | — | |
| Water SCHEMBL30472180 | 0.78 | — | — | |
| SCHEMBL23501717 | 0.77 | CA5A (0.31) | — | |
| SCHEMBL1695401 | 0.77 | CA5A (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2874713-B1 | PROCESS TO PRODUCE FLUORINATED BETAINES | DU PONT (US) | 2016-06-15 | — | — | EP | disclosed |
| EP-2874713-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E. I. du Pont de Nemours and Company (US) | 2015-05-27 | — | — | EP | disclosed |
| CN-104470589-A | Process to produce fluorinated betaines | DU PONT | 2015-03-25 | — | — | CN | disclosed |
| US-8809577-B2 | Process to produce fluorinated betaines | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-08-19 | — | — | US | disclosed |
| WO-2014014810-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | WO | disclosed |
| US-20140024855-A1 | PROCESS TO PRODUCE FLUORINATED BETAINES | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-01-23 | — | — | US | disclosed |