⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5518153 | 0.76 | — | — | |
| SCHEMBL16105058 | 0.76 | — | — | |
| SCHEMBL27708623 | 0.72 | — | — | |
| SCHEMBL9066600 | 0.67 | — | — | |
| SCHEMBL18112483 | 0.67 | — | — | |
| SCHEMBL13204138 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL1992663 | 0.65 | — | — | |
| SCHEMBL20166002 | 0.65 | — | — | |
| SCHEMBL1992075 | 0.65 | — | — | |
| Trichloromonofluoromethane SCHEMBL29006607 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545021-A1 | PROCESS OF FLUORINATION IN LIQUID PHASE | Arkema France (FR) | 2013-01-16 | — | — | EP | claimed |
| WO-2011110889-A1 | PROCESS OF FLUORINATION IN LIQUID PHASE | ARKEMA FRANCE (FR) | 2011-09-15 | — | — | WO | claimed |
| EP-2630108-A1 | PROCESS FOR THE PREPARATION OF 2,3,3,3 TETRAFLUOROPROPENE | Arkema France (FR) | 2013-08-28 | — | — | EP | disclosed |
| CN-101913982-B | Preparation method of 1,1,1,3,3-pentafluorobutane | XIAN MODERN CHEMISTRY RES INST | 2013-08-28 | — | — | CN | disclosed |
| WO-2012052797-A1 | PROCESS FOR THE PREPARATION OF 2,3,3,3 TETRAFLUOROPROPENE | ARKEMA FRANCE (FR) | 2012-04-26 | — | — | WO | disclosed |
| CN-101913982-A | Preparation method of 1,1,1,3,3-pentafluorobutane | XIAN MODERN CHEMISTRY RES INST | 2010-12-15 | — | — | CN | disclosed |