Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.85 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.85 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | SI | P14410 | 1/20 | 0.52 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Ethyl Bromo Acetate SCHEMBL1332025 | 0.92 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332372 | 0.92 | — | — | |
| Ethyl Bromo Acetate SCHEMBL5658 | 0.92 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332675 | 0.92 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1856134 | 0.90 | — | — | |
| Ethyl Bromo Acetate SCHEMBL14485097 | 0.90 | ALDH1A1 (0.94) | ALDH1A1TRPA1GAAMGAMSI | |
| Ethyl Bromo Acetate SCHEMBL3688089 | 0.90 | — | — | |
| Ethyl Bromo Acetate SCHEMBL27530735 | 0.90 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1856136 | 0.87 | — | — | |
| Ethyl Bromo Acetate SCHEMBL7748940 | 0.86 | ALDH1A1 (0.77) | ALDH1A1TRPA1GAAMGAMSI |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113149968-A | Compound serving as ketohexokinase inhibitor and application thereof | 广州博济医药生物技术股份有限公司 | 2021-07-23 | — | — | CN | claimed |
| US-4154952-A | REACTING ALDEHYDES, METHYLENE COMPOUND, A SULFUR-CONTAINING HALIDE, AN INERT ORGANIC SOLVENT AND A STRONG BASE | SCHULTZ HARRY W | 1979-05-15 | — | — | US | claimed |
| CN-114599640-A | Isoxazole carboxylic acids as LPA antagonists | 百时美施贵宝公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-114599648-A | Triazole carboxylic acids as LPA antagonists | 百时美施贵宝公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-112250689-B | Compounds having therapeutic effect on liver diseases | 江苏新元素医药科技有限公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-113929578-A | Method for synthesizing 2-formyl-1-cyclopropane ethyl formate | 西安都创医药科技有限公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-113149968-A | Compound serving as ketohexokinase inhibitor and application thereof | 广州博济医药生物技术股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-112250689-A | Compounds having therapeutic effect on liver diseases | 江苏新元素医药科技有限公司 | 2021-01-22 | — | — | CN | disclosed |
| WO-2009087650-A2 | A NOVEL PROCESS FOR SYNTHESIS OF PREGABALIN FROM SUBSTITUTED CYCLOPROPANE INTERMEDIATE AND A PROCESS FOR ENZYMATIC RESOLUTION OF RACEMIC PREGABALIN | V.B. MEDICARE PVT. LTD. (IN) | 2009-07-16 | — | — | WO | disclosed |
| EP-0870760-B1 | Cyclopropyl glycine derivatives with pharmaceutical properties | LILLY SA (ES) | 2003-10-01 | — | — | EP | disclosed |
| EP-1000927-B1 | Excitatory amino acid receptor modulators | LILLY CO ELI (US) | 2003-06-04 | — | — | EP | disclosed |
| US-5120862-A | Cyclization with lewis acid in presence of acid anhydride catalyst | BRISTOL-MYERS COMPANY (US) | 1992-06-09 | — | — | US | disclosed |
| US-5086182-A | Intermediates for the production of epipodophyllotoxin and related compounds and processes for the preparation and use thereof | BRISTOL-MYERS COMPANY (US) | 1992-02-04 | — | — | US | disclosed |
| US-5011948-A | Cleavage of isoxazole rings, reduction to amine, cyclization, lactonization; anticarcinogenic agents | BRISTOL-MYERS COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4866189-A | ANTITUMOR, ANTICANCER AGENT | BRISTOL-MYERS COMPANY (US) | 1989-09-12 | — | — | US | disclosed |
| US-4795819-A | ANTITUMOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1989-01-03 | — | — | US | disclosed |
| US-4728740-A | ANTINEOPLASTIC | BRISTOL-MYERS COMPANY (US) | 1988-03-01 | — | — | US | disclosed |
| US-4644072-A | ANTITUMOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1987-02-17 | — | — | US | disclosed |
| US-4289711-A | Ester synthesis | BURROUGHS WELLCOME CO. (US) | 1981-09-15 | — | — | US | disclosed |
| US-4154952-A | REACTING ALDEHYDES, METHYLENE COMPOUND, A SULFUR-CONTAINING HALIDE, AN INERT ORGANIC SOLVENT AND A STRONG BASE | SCHULTZ HARRY W | 1979-05-15 | — | — | US | disclosed |