⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1991255 | 0.82 | — | — | |
| SCHEMBL4729870 | 0.82 | — | — | |
| SCHEMBL7208048 | 0.82 | — | — | |
| SCHEMBL8780340 | 0.79 | — | — | |
| SCHEMBL2456360 | 0.76 | — | — | |
| SCHEMBL2460894 | 0.76 | — | — | |
| SCHEMBL28866 | 0.76 | — | — | |
| SCHEMBL177914 | 0.70 | — | — | |
| SCHEMBL1991784 | 0.70 | — | — | |
| SCHEMBL201981 | 0.70 | — | — |
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-0892771-B1 | PROCESS FOR THE MANUFACTURE OF HALOGENATED PROPANES CONTAINING END-CARBON FLUORINE | DU PONT (US) | 2003-06-25 | — | — | EP | disclosed |
| CN-1102920-C | Process for preparing halogenated propanes containing terminal fluorocarbons | DU PONT (US) | 2003-03-12 | — | — | CN | disclosed |
| US-6066769-A | PRE-FLUORINATING A CHLORINATED PROPANE COMPOUND OF GIVEN FORMULA IN A FIRST STEP AND COMPLETING THE FLUORINATION IN A SECOND, VAPOR PHASE STEP | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-23 | — | — | US | disclosed |
| CN-1215387-A | Process for the manufacture of halogenated propanes containing end-carbon fluorine | DU PONT (US) | 1999-04-28 | — | — | CN | disclosed |
| EP-0892771-A1 | PROCESS FOR THE MANUFACTURE OF HALOGENATED PROPANES CONTAINING END-CARBON FLUORINE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997037956-A1 | PROCESS FOR THE MANUFACTURE OF HALOGENATED PROPANES CONTAINING END-CARBON FLUORINE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |