⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1735212 | 0.80 | PKM (0.35) | — | |
| SCHEMBL6062455 | 0.77 | — | — | |
| SCHEMBL6440412 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL9578216 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL6063729 | 0.76 | TET2 (0.31) | — | |
| SCHEMBL669549 | 0.74 | — | — | |
| SCHEMBL9546053 | 0.73 | THRB (0.30) | — | |
| SCHEMBL7786101 | 0.71 | — | — | |
| SCHEMBL9578477 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL6441428 | 0.71 | THRB (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5213938-A | Oxidation of toner compositions | XEROX CORPORATION (US) | 1993-05-25 | — | — | US | claimed |
| US-7148363-B2 | Process for preparing acrylate compound | TOSOH CORPORATION (JP) | 2006-12-12 | — | — | US | disclosed |
| US-20050148789-A1 | Process for preparing acrylate compound | TOSOH CORPORATION | 2005-07-07 | — | — | US | disclosed |
| US-6833462-B2 | Esterification to get cyclic acrylate compounds; used as raw material for functional polymers, pharmaceuticals, pesticides, semiconductor lithography | TOSOH CORPORATION (JP) | 2004-12-21 | — | — | US | disclosed |
| US-20030139613-A1 | Process for preparing acrylate compound | TOSOH CORPORATION | 2003-07-24 | — | — | US | disclosed |
| US-5612281-A | Recording sheet | FUJI PHOTO FILM CO., LTD. (JP) | 1997-03-18 | — | — | US | disclosed |
| US-5235013-A | Copolymerizing an alkene of 6-10 carbons having one double bond and a side chain methyl group and an acrylic or fluoroacrylic ester | CIBA-GEIGY CORPORATION | 1993-08-10 | — | — | US | disclosed |
| EP-0478261-A2 | Process for producing oxygen-permeable polymer | CIBA-GEIGY AG (CH) | 1992-04-01 | — | — | EP | disclosed |