⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19744405 | 1.00 | — | — | |
| SCHEMBL19744410 | 1.00 | — | — | |
| SCHEMBL19744512 | 0.86 | — | — | |
| SCHEMBL15115421 | 0.82 | CYP2A6 (0.33) | — | |
| SCHEMBL2481938 | 0.80 | CYP2A6 (0.32) | — | |
| SCHEMBL7903271 | 0.80 | — | — | |
| SCHEMBL3384420 | 0.80 | — | — | |
| SCHEMBL7901470 | 0.80 | — | — | |
| SCHEMBL13763097 | 0.74 | — | — | |
| SCHEMBL167253 | 0.69 | — | — |
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-2017222532-A1 | PREPARATION OF MONO- AND DI-ALKYL HALIDE FURANIC COMPOUNDS FROM 2,5-BIS(HYDROXYMETHYL)-TETRAHYDROFURANS (BHMTHF) AND DERIVATIVES THEREOF | ARCHER DANIELS MIDLAND COMPANY (US) | 2017-12-28 | — | — | WO | disclosed |