⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL196158 | 0.97 | — | — | |
| SCHEMBL27428637 | 0.93 | — | — | |
| SCHEMBL28873813 | 0.93 | — | — | |
| SCHEMBL20214539 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL13667833 | 0.79 | ALDH1A1 (0.50) | — | |
| Azobenzene SCHEMBL28159608 | 0.72 | ALDH1A1 (0.92) | — | |
| SCHEMBL596177 | 0.69 | — | — | |
| Azobenzene SCHEMBL6703357 | 0.67 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL6562161 | 0.67 | ALDH1A1 (1.00) | — | |
| Azobenzene SCHEMBL11878769 | 0.67 | ALDH1A1 (1.00) | — |
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-100579960-C | Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates | AVENTIS PHARMA GMBH | 2010-01-13 | — | — | CN | disclosed |
| CN-1878753-A | Ortho-substituted pentafluorosulfanylbenzenes, process for their preparation and their use as valuable synthetic intermediates | AVENTIS PHARMA GMBH (DE) | 2006-12-13 | — | — | CN | disclosed |