⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32681740 | 0.81 | THRB (0.32) | — | |
| SCHEMBL17181224 | 0.81 | THRB (0.32) | — | |
| SCHEMBL15668368 | 0.81 | THRB (0.32) | — | |
| SCHEMBL1876502 | 0.75 | THRB (0.32) | — | |
| SCHEMBL27921395 | 0.73 | — | — | |
| SCHEMBL6359931 | 0.73 | — | — | |
| SCHEMBL28421393 | 0.72 | — | — | |
| SCHEMBL814148 | 0.72 | — | — | |
| SCHEMBL1986530 | 0.72 | — | — | |
| SCHEMBL1985772 | 0.72 | — | — |
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-112794788-B | Method for synthesizing fluoroisobutylene by using hexafluoropropylene as starting material | 泉州宇极新材料科技有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-112794788-A | Method for synthesizing fluoroisobutylene by using hexafluoropropylene as starting material | 北京宇极科技发展有限公司 | 2021-05-14 | — | — | CN | disclosed |