⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3945256 | 0.79 | — | — | |
| SCHEMBL25238001 | 0.79 | — | — | |
| SCHEMBL5870578 | 0.73 | — | — | |
| SCHEMBL1532338 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL499003 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL29988957 | 0.71 | — | — | |
| SCHEMBL29655916 | 0.71 | — | — | |
| SCHEMBL11419077 | 0.69 | — | — | |
| SCHEMBL9015760 | 0.69 | — | — | |
| SCHEMBL29655858 | 0.69 | — | — |
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-0729940-B1 | Process for synthesizing fluorinated nitrile compounds | DU PONT (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1298122-A1 | Process for the production of fluorinated nitriles from corresponding amides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-04-02 | — | — | EP | disclosed |
| US-5637748-A | AMMONIATION OF A FLUORINATED UNSATURATED ESTER | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-06-10 | — | — | US | disclosed |
| EP-0729940-A2 | Process for synthesizing fluorinated nitrile compounds | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |