⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17215752 | 1.00 | — | — | |
| SCHEMBL17218990 | 0.86 | ESR1 (0.35) | — | |
| SCHEMBL17217737 | 0.84 | GBA1 (0.32) | — | |
| SCHEMBL9944269 | 0.79 | — | — | |
| SCHEMBL17217883 | 0.79 | — | — | |
| SCHEMBL11526240 | 0.73 | — | — | |
| SCHEMBL12744876 | 0.72 | CYP2C19 (0.35) | — | |
| SCHEMBL22222740 | 0.71 | — | — | |
| SCHEMBL6782852 | 0.70 | — | — | |
| SCHEMBL9945284 | 0.69 | — | — |
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-8772290-B2 | Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same | Oscotech Inc. (KR) | 2014-07-08 | — | — | US | disclosed |
| US-20120149707-A1 | ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | OSCOTEC INC. (KR) | 2012-06-14 | — | — | US | disclosed |