⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99769 | 0.93 | — | — | |
| Ethylene SCHEMBL3106211 | 0.90 | — | — | |
| SCHEMBL11351215 | 0.88 | TSHR (0.30) | — | |
| Vinyl Chloride SCHEMBL29156472 | 0.88 | TSHR (0.30) | — | |
| Acrylic Acid SCHEMBL9303378 | 0.84 | LMNA (0.46) | — | |
| SCHEMBL4347799 | 0.82 | ALDH1A1 (0.31) | — | |
| Acrylonitrile SCHEMBL7869589 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL11312472 | 0.79 | ALDH1A1 (0.43) | — | |
| Methacrylic Acid SCHEMBL11445527 | 0.79 | HSD17B10 (0.33) | — | |
| Vinyl Ether SCHEMBL7168751 | 0.76 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5196463-A | Acrylic gum, trithiocyanuric acid, aluminum carboxylate, metal dialkyl dithiocarbamate | ENICHEM ELASTOMERI S.R.L. (IT) | 1993-03-23 | — | — | US | claimed |
| EP-0796890-A1 | Vulcanizable acrylic rubber composition | ENICHEM S.p.A. (IT) | 1997-09-24 | — | — | EP | disclosed |