⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5678782 | 0.93 | — | — | |
| SCHEMBL16899653 | 0.87 | — | — | |
| SCHEMBL17026010 | 0.82 | — | — | |
| SCHEMBL26617298 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL9758405 | 0.80 | — | — | |
| SCHEMBL21872245 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL276681 | 0.80 | LMNA (0.48) | — | |
| SCHEMBL25779893 | 0.80 | ANPEP (0.40) | — | |
| SCHEMBL28078420 | 0.78 | LMNA (0.52) | — | |
| SCHEMBL26617319 | 0.78 | LMNA (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-6835844-B2 | Acrylic esters and use thereof | MITSUI CHEMICALS, INC. (JP) | 2004-12-28 | — | — | US | disclosed |
| US-20040102592-A1 | Acrylic esters and use thereof | MITSUI CHEMICALS, INC. (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |
| US-5691319-A | ANTICARCINOGENIC AGENTS | SANKYO COMPANY, LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0536936-B1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | SANKYO CO (JP) | 1996-08-14 | — | — | EP | disclosed |
| EP-0536936-A1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | Sankyo Company Limited (JP) | 1993-04-14 | — | — | EP | disclosed |
| EP-0294228-A2 | Novel heterocyclic pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-12-07 | — | — | EP | disclosed |