⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6826957 | 0.82 | HDAC3 (0.32) | — | |
| SCHEMBL128996 | 0.75 | KMT2A (0.30) | — | |
| SCHEMBL57575 | 0.72 | GSTP1 (0.32) | — | |
| SCHEMBL6826819 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL3440783 | 0.71 | GSTP1 (0.46) | — | |
| SCHEMBL5070953 | 0.70 | HCAR2 (0.33) | — | |
| SCHEMBL5072057 | 0.70 | HCAR2 (0.33) | — | |
| Acrylic Acid SCHEMBL8676130 | 0.69 | — | — | |
| Methacrylic Acid SCHEMBL1454554 | 0.69 | — | — | |
| SCHEMBL5066933 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510516-A | CATALYTIC OXIDATION OF ACRYLIC ESTERS, AMIDES OR THIOESTERS WITH HYDROGEN PEROXIDE | ATOCHEM (FR) | 1996-04-23 | — | — | US | disclosed |
| US-5283360-A | Opening epoxide ring with acidic reagent | ATOCHEM (FR) | 1994-02-01 | — | — | US | disclosed |
| EP-0218365-A1 | Acrylic adhesives and sealants with improved hot strength | National Starch and Chemical Investment Holding Corporation (US) | 1987-04-15 | — | — | EP | disclosed |