⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7554424 | 1.00 | — | — | |
| SCHEMBL11032401 | 1.00 | — | — | |
| SCHEMBL1906626 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL1906628 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL29173986 | 0.87 | ALOX15 (0.41) | — | |
| SCHEMBL7555801 | 0.86 | ALDH1A1 (0.52) | — | |
| SCHEMBL31548 | 0.86 | ALDH1A1 (0.52) | — | |
| SCHEMBL9782649 | 0.86 | ALDH1A1 (0.52) | — | |
| SCHEMBL6060559 | 0.85 | ALDH1A1 (0.50) | — | |
| SCHEMBL19810154 | 0.85 | ALOX15 (0.42) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59043003-A | — | — | None | — | — | JP | disclosed |
| EP-3515885-B1 | PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES | UMICORE AG & CO KG (DE) | 2023-12-13 | — | — | EP | disclosed |
| CN-116444931-A | Electric-resistant dendronized thermoplastic insulating material, and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-07-18 | — | — | CN | disclosed |
| WO-2022257875-A1 | PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海日馨医药科技股份有限公司 | 2022-12-15 | — | — | WO | disclosed |
| US-10774035-B2 | Preparation of amino acids and amino acid derivatives | UMICORE AG & CO. KG (DE) | 2020-09-15 | — | — | US | disclosed |
| US-20190276388-A1 | PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES | UMICORE AG & CO KG (DE) | 2019-09-12 | — | — | US | disclosed |
| EP-3515885-A1 | PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES | UMICORE AG & CO. KG (DE) | 2019-07-31 | — | — | EP | disclosed |
| CN-109148953-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2019-01-04 | — | — | CN | disclosed |
| WO-2018057290-A1 | PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES | MATERIA, INC. (US) | 2018-03-29 | — | — | WO | disclosed |
| CN-103339784-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2013-10-02 | — | — | CN | disclosed |
| EP-0950652-B1 | Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same | KURARAY CO (JP) | 2002-07-03 | — | — | EP | disclosed |
| US-6159928-A | Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same | KURARAY CO., LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0950652-A1 | Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same | KURARAY CO., LTD. (JP) | 1999-10-20 | — | — | EP | disclosed |
| WO-1995021606-A1 | 2,2,4-TRIMETHYL-PENTEN-1-YL COMPOUNDS, FRAGRANCE AND FLAVOR COMPOSITIONS | UNION CAMP CORPORATION (US) | 1995-08-17 | — | — | WO | disclosed |
| JP-S5943003-A | PRODUCTION OF COPOLYMER | TOA NENRYO KOGYO KK | 1984-03-09 | — | — | JP | disclosed |
| JP-S05943003-A | — | — | 0001-01-01 | — | — | JP | disclosed |