⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3370357 | 1.00 | — | — | |
| SCHEMBL8413245 | 1.00 | — | — | |
| SCHEMBL583714 | 1.00 | — | — | |
| SCHEMBL309437 | 1.00 | — | — | |
| SCHEMBL111561 | 1.00 | — | — | |
| SCHEMBL23610304 | 1.00 | — | — | |
| SCHEMBL13001479 | 1.00 | — | — | |
| SCHEMBL3663078 | 1.00 | — | — | |
| Water SCHEMBL13281173 | 0.98 | — | — | |
| SCHEMBL22069515 | 0.81 | — | — |
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-2019037862-A1 | ORGANOSULPHUR COMPOUNDS AS ODORANTS AND FLAVOURINGS | SYMRISE AG (DE) | 2019-02-28 | — | — | WO | disclosed |