⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4881983 | 0.73 | — | — | |
| SCHEMBL27569588 | 0.73 | — | — | |
| SCHEMBL4445558 | 0.71 | — | — | |
| SCHEMBL1021736 | 0.70 | — | — | |
| SCHEMBL8939820 | 0.70 | — | — | |
| SCHEMBL29743199 | 0.69 | — | — | |
| SCHEMBL8939813 | 0.69 | — | — | |
| SCHEMBL8644672 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL27236946 | 0.67 | — | — | |
| SCHEMBL2535311 | 0.67 | — | — |
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 |