⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11079652 | 0.83 | — | — | |
| SCHEMBL1182505 | 0.81 | THRB (0.32) | — | |
| SCHEMBL1579518 | 0.81 | — | — | |
| SCHEMBL11192018 | 0.80 | THRB (0.31) | — | |
| SCHEMBL11088530 | 0.80 | THRB (0.31) | — | |
| SCHEMBL28463915 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL4165677 | 0.80 | THRB (0.31) | — | |
| SCHEMBL11192674 | 0.79 | — | — | |
| SCHEMBL3672049 | 0.79 | — | — | |
| SCHEMBL11078160 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1298122-B1 | Process for the production of fluorinated nitriles from corresponding amides | DU PONT (US) | 2004-06-30 | — | — | EP | disclosed |
| 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 |