⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1358982 | 0.83 | — | — | |
| SCHEMBL8955846 | 0.83 | — | — | |
| SCHEMBL15402707 | 0.78 | — | — | |
| SCHEMBL28844448 | 0.77 | — | — | |
| SCHEMBL1359093 | 0.75 | — | — | |
| SCHEMBL316386 | 0.69 | — | — | |
| SCHEMBL15404129 | 0.69 | — | — | |
| SCHEMBL15404002 | 0.67 | — | — | |
| SCHEMBL29203829 | 0.67 | — | — | |
| SCHEMBL17061012 | 0.67 | — | — |
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-0728168-A1 | COMPOSITIONS OF 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE AND PENTAFLUOROPROPANE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013335-A1 | COMPOSITIONS OF 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE AND PENTAFLUOROPROPANE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-05-18 | — | — | WO | disclosed |