⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1082672 | 0.81 | — | — | |
| SCHEMBL27568889 | 0.81 | — | — | |
| SCHEMBL173263 | 0.79 | — | — | |
| SCHEMBL8673134 | 0.78 | — | — | |
| Fluoride SCHEMBL11397679 | 0.77 | — | — | |
| SCHEMBL9282431 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL9282427 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL1939008 | 0.77 | — | — | |
| SCHEMBL17512886 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL9805704 | 0.77 | — | — |
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-4273729-A | CARBONYL OR SULFONYL FLUORIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-06-16 | — | — | US | disclosed |