⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL872855 | 0.88 | — | — | |
| SCHEMBL12657856 | 0.88 | — | — | |
| SCHEMBL19744378 | 0.85 | — | — | |
| SCHEMBL8025106 | 0.85 | — | — | |
| SCHEMBL8025109 | 0.85 | — | — | |
| SCHEMBL14316683 | 0.77 | CHRM2 (0.38) | — | |
| SCHEMBL16312550 | 0.76 | — | — | |
| SCHEMBL18161019 | 0.76 | — | — | |
| SCHEMBL12302762 | 0.76 | — | — | |
| SCHEMBL5936427 | 0.76 | — | — |
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-2014209595-A1 | TETRAHYDROFURAN-2,5-DICARBALDEHYDES (DIFORMYL-TETRAHYDROFURAN, DFTHF) AND PROCESS FOR MAKING THE SAME | ARCHER DANIELS MIDLAND COMPANY (US) | 2014-12-31 | — | — | WO | disclosed |