⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL996730 | 0.80 | — | — | |
| SCHEMBL274676 | 0.72 | — | — | |
| SCHEMBL21520 | 0.72 | — | — | |
| SCHEMBL30548743 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11803918 | 0.70 | TRPA1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27571681 | 0.70 | TRPA1 (0.46) | — | |
| SCHEMBL9309084 | 0.70 | TRPA1 (0.46) | — | |
| SCHEMBL1952040 | 0.70 | TRPA1 (0.46) | — | |
| Water SCHEMBL28356442 | 0.70 | TRPA1 (0.46) | — | |
| SCHEMBL459478 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0732928-B1 | METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS | MERRELL PHARMA INC (US) | 2004-12-22 | — | — | EP | claimed |