⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9169941 | 0.92 | — | — | |
| SCHEMBL51862 | 0.81 | — | — | |
| SCHEMBL1101179 | 0.79 | CES2 (0.43) | — | |
| Octane SCHEMBL87802 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL8991757 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL1856865 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL323206 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL1100156 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL8991633 | 0.77 | CES2 (0.46) | — | |
| SCHEMBL10375151 | 0.77 | CES2 (0.46) | — |
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-5536885-A | Production of perfluoro(alkyl vinyl ethers) | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-07-16 | — | — | US | disclosed |