⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726616 | 0.71 | — | — | |
| SCHEMBL7709206 | 0.69 | — | — | |
| SCHEMBL16098180 | 0.68 | — | — | |
| SCHEMBL2544023 | 0.67 | — | — | |
| SCHEMBL24257279 | 0.67 | — | — | |
| SCHEMBL1221772 | 0.65 | — | — | |
| SCHEMBL2549080 | 0.65 | — | — | |
| SCHEMBL29118513 | 0.65 | — | — | |
| SCHEMBL2549083 | 0.65 | — | — | |
| SCHEMBL27853761 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0935593-A1 | PROCESS FOR THE PURIFICATION OF 1,1-DIFLUOROETHANE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1998019982-A1 | PROCESS FOR THE PURIFICATION OF 1,1-DIFLUOROETHANE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |