⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1901614 | 0.78 | — | — | |
| SCHEMBL1021736 | 0.73 | — | — | |
| SCHEMBL9861662 | 0.72 | — | — | |
| SCHEMBL94227 | 0.72 | — | — | |
| SCHEMBL652264 | 0.72 | — | — | |
| SCHEMBL8676506 | 0.71 | — | — | |
| SCHEMBL710916 | 0.71 | — | — | |
| SCHEMBL251007 | 0.69 | ALDH1A1 (0.32) | — | |
| Chloropentafluoroethane SCHEMBL19327197 | 0.67 | — | — | |
| SCHEMBL28945892 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763703-A | DECHLORINATION OF 1,2-DICHLOROHEXAFLUOROBUTANE USING HYDROGEN IN PRESENCE OF A DEHALOGENATION CATALYST COMPRISING METAL OXIDE AND/OR SILICON OXIDE | DAIKIN INDUSTRIES LTD. (JP) | 1998-06-09 | — | — | US | claimed |
| US-4079263-A | Power producing system | INOUE-JAPAN RESEARCH INCORPORATED (JA) | 1978-03-14 | — | — | US | claimed |
| US-4085518-A | UTILIZING A FLUOROCARBON VAPOR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-04-25 | — | — | US | disclosed |
| US-4079263-A | Power producing system | INOUE-JAPAN RESEARCH INCORPORATED (JA) | 1978-03-14 | — | — | US | disclosed |