⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19265329 | 0.74 | — | — | |
| SCHEMBL20581534 | 0.72 | PPP5C (0.34) | — | |
| SCHEMBL22127597 | 0.72 | PPP5C (0.34) | — | |
| SCHEMBL11469257 | 0.68 | — | — | |
| SCHEMBL26309027 | 0.68 | — | — | |
| SCHEMBL24371592 | 0.67 | — | — | |
| SCHEMBL20782920 | 0.67 | — | — | |
| SCHEMBL11403677 | 0.65 | — | — | |
| SCHEMBL28959647 | 0.64 | NPC1 (0.31) | — | |
| SCHEMBL338488 | 0.64 | — | — |
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 2 patents. 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 |
| WO-2019037862-A1 | ORGANOSULPHUR COMPOUNDS AS ODORANTS AND FLAVOURINGS | SYMRISE AG (DE) | 2019-02-28 | — | — | WO | disclosed |