⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3474662 | 1.00 | — | — | |
| Pentane SCHEMBL15876466 | 0.87 | TSHR (0.41) | — | |
| Pentane SCHEMBL15876468 | 0.87 | TSHR (0.41) | — | |
| Vinyl Chloride SCHEMBL28848608 | 0.81 | — | — | |
| SCHEMBL891350 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL6323 | 0.78 | — | — | |
| SCHEMBL8157971 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL1823097 | 0.78 | — | — | |
| Hypochlorous Acid SCHEMBL11415786 | 0.75 | — | — | |
| SCHEMBL3359261 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100163776-A1 | AZEOTROPIC AND AZEOTROPE-LIKE COMPOSITIONS OF E-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-07-01 | — | — | US | disclosed |