⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5159682 | 0.79 | — | — | |
| SCHEMBL27647336 | 0.77 | ALDH1A1 (1.00) | — | |
| SCHEMBL29445 | 0.77 | — | — | |
| SCHEMBL7907687 | 0.76 | — | — | |
| SCHEMBL29229756 | 0.76 | ALDH1A1 (0.61) | — | |
| SCHEMBL3871222 | 0.76 | ALDH1A1 (0.50) | — | |
| Acetonitrile SCHEMBL23070461 | 0.74 | ALDH1A1 (0.92) | — | |
| Acetic Acid SCHEMBL8429279 | 0.72 | ALDH1A1 (0.88) | — | |
| SCHEMBL2412075 | 0.72 | ALDH1A1 (0.88) | — | |
| SCHEMBL79588 | 0.72 | ALDH1A1 (0.56) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-206521416-U | A kind of system of acetylene ethyl acrylate | 神雾科技集团股份有限公司 | 2017-09-26 | — | — | CN | claimed |
| CN-106045855-A | System for preparing ethyl acrylate from acetylene, and method thereof | 北京神雾环境能源科技集团股份有限公司 | 2016-10-26 | — | — | CN | claimed |
| CN-117487088-A | High-water-reduction and high-slump-retaining polycarboxylate superplasticizer and preparation method thereof | 中建西部建设新材料科技有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-206521416-U | A kind of system of acetylene ethyl acrylate | 神雾科技集团股份有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-206521416-U | A kind of system of acetylene ethyl acrylate | 神雾科技集团股份有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-106045855-A | System for preparing ethyl acrylate from acetylene, and method thereof | 北京神雾环境能源科技集团股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| US-7521469-B2 | Phosphinic amino acid compounds | LES LABORATOIRES SERVIER (FR) | 2009-04-21 | — | — | US | disclosed |
| US-7521469-B2 | Phosphinic amino acid compounds | LES LABORATOIRES SERVIER (FR) | 2009-04-21 | — | — | US | disclosed |
| US-20080153890-A1 | Phosphinic Amino Acid Compounds | LES LABORATOIRES SERVER (FR) | 2008-06-26 | — | — | US | disclosed |
| US-20080153890-A1 | Phosphinic Amino Acid Compounds | LES LABORATOIRES SERVER (FR) | 2008-06-26 | — | — | US | disclosed |