⚠ 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 | |
|---|---|---|---|---|
| Diallyldisulfide SCHEMBL18687005 | 0.78 | TRPA1 (1.00) | — | |
| Diallyldisulfide SCHEMBL93944 | 0.78 | — | — | |
| Diallyldisulfide SCHEMBL9398506 | 0.72 | TRPA1 (0.85) | — | |
| Diallyl Tetrasulfide SCHEMBL389609 | 0.72 | TRPA1 (0.86) | — | |
| Allitridin SCHEMBL562845 | 0.72 | — | — | |
| Allitridin SCHEMBL28776713 | 0.72 | TRPA1 (1.00) | — | |
| SCHEMBL1551592 | 0.72 | — | — | |
| SCHEMBL2987869 | 0.69 | TRPA1 (0.80) | — | |
| SCHEMBL392677 | 0.69 | TRPA1 (0.80) | — | |
| SCHEMBL389755 | 0.69 | TRPA1 (0.80) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5493049-A | TELOMERS | DOW CORNING CORPORATION (US) | 1996-02-20 | — | — | US | disclosed |
| US-5350878-A | Telomers with ester groups, heat and chemical resistance | DOW CORNING CORPORATION (US) | 1994-09-27 | — | — | US | disclosed |
| US-4080391-A | Process for the production of alcohols | MITSUI TOATSU CHEMICALS (JA) | 1978-03-21 | — | — | US | disclosed |