⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9659240 | 0.86 | CYP3A4 (0.34) | — | |
| SCHEMBL27863012 | 0.84 | DNM1 (0.41) | — | |
| SCHEMBL16553916 | 0.82 | DNM1 (0.44) | — | |
| SCHEMBL31296269 | 0.81 | HSD17B10 (0.32) | — | |
| SCHEMBL3631990 | 0.80 | — | — | |
| SCHEMBL4356031 | 0.79 | — | — | |
| SCHEMBL8735467 | 0.79 | — | — | |
| SCHEMBL8850882 | 0.78 | — | — | |
| SCHEMBL8850887 | 0.78 | — | — | |
| SCHEMBL16398665 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0436669-A1 | PERFLUOROACETAL AND PERFLUOROKETAL COMPOUNDS AND USE THEREOF IN THERMAL SHOCK TESTING | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-07-17 | — | — | EP | disclosed |