⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22547756 | 1.00 | — | — | |
| SCHEMBL19683674 | 1.00 | — | — | |
| SCHEMBL19683676 | 1.00 | — | — | |
| SCHEMBL19683472 | 0.88 | — | — | |
| SCHEMBL19683478 | 0.88 | — | — | |
| SCHEMBL19683722 | 0.80 | ABCB1 (0.31) | — | |
| SCHEMBL19683720 | 0.80 | ABCB1 (0.31) | — | |
| SCHEMBL19683487 | 0.80 | ABCB1 (0.31) | — | |
| SCHEMBL19683486 | 0.80 | ABCB1 (0.31) | — | |
| SCHEMBL19683673 | 0.80 | ABCB1 (0.31) | — |
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-2017207539-A1 | TETRAHYDROPYRANYL LOWER ALKYL ESTERS AND THE PRODUCTION OF SAME USING A KETENE COMPOUND | BASF SE (DE) | 2017-12-07 | — | — | WO | disclosed |