⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28166208 | 0.97 | — | — | |
| SCHEMBL456665 | 0.94 | — | — | |
| SCHEMBL289435 | 0.76 | — | — | |
| SCHEMBL9598613 | 0.76 | — | — | |
| SCHEMBL1050915 | 0.74 | — | — | |
| SCHEMBL12825534 | 0.74 | — | — | |
| SCHEMBL30697184 | 0.74 | — | — | |
| SCHEMBL13982766 | 0.74 | — | — | |
| SCHEMBL16079595 | 0.72 | — | — | |
| SCHEMBL6161854 | 0.70 | RAB9A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107032950-B | A kind of synthetic method of hexafluoro-isobutene | 巨化集团技术中心 | 2019-09-03 | — | — | CN | disclosed |
| CN-107032950-A | A kind of synthetic method of hexafluoro-isobutene | 巨化集团技术中心 | 2017-08-11 | — | — | CN | disclosed |