⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3632934 | 0.86 | — | — | |
| SCHEMBL9961420 | 0.86 | — | — | |
| SCHEMBL13172659 | 0.73 | — | — | |
| SCHEMBL19121710 | 0.73 | — | — | |
| SCHEMBL762605 | 0.72 | — | — | |
| SCHEMBL13172646 | 0.69 | — | — | |
| SCHEMBL12147062 | 0.67 | — | — | |
| Ethylene SCHEMBL11844746 | 0.67 | — | — | |
| SCHEMBL19206028 | 0.67 | — | — | |
| SCHEMBL19206026 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2016025480-A1 | CYCLOOCTENES FOR BIOORTHOGONOL REACTIONS | THE GENERAL HOSPITAL CORPORATION (US) | 2016-02-18 | — | — | WO | disclosed |