⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14718902 | 0.97 | ALDH1A1 (0.50) | — | |
| Phosphonic Acid SCHEMBL8093610 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL6753625 | 0.85 | ALDH1A1 (0.60) | — | |
| SCHEMBL305496 | 0.83 | ALDH1A1 (0.61) | — | |
| SCHEMBL8913019 | 0.82 | — | — | |
| SCHEMBL3270013 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL6128478 | 0.81 | ALDH1A1 (0.58) | — | |
| SCHEMBL64593 | 0.81 | ALDH1A1 (0.68) | — | |
| SCHEMBL4453062 | 0.80 | — | — | |
| SCHEMBL4979279 | 0.80 | — | — |
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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116283522-A | Synthesis method of 4-acetoxyl-2-methyl butyraldehyde | 上虞新和成生物化工有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-105315118-A | Integrated extracting and separating method for active ingredients of Chinese stellera roots | LI YUSHAN | 2016-02-10 | — | — | CN | claimed |
| WO-2007012980-A1 | TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS | PHILIP MORRIS PRODUCTS S.A. (CH) | 2007-02-01 | — | — | WO | claimed |
| US-20060283469-A1 | Tobacco with an increased level of natural tar diluents | PHILIP MORRIS USA INC. (US) | 2006-12-21 | — | — | US | claimed |
| US-6495247-B1 | A COORDINATE BOND BEING A MULTIDENTATE BOND WHERE A MOLECULE BONDS WITH METALLIC ATOM ON SURFACE AND THE METALLIC ATOM IS BETWEEN THE LIGAND ATOMS | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 2002-12-17 | — | — | US | claimed |
| EP-0892775-A2 | USE OF 4-SUBSTITUTED 2-BUTANONES TO PREPARE NABUMETONE | HOECHST CELANESE CORPORATION (US) | 1999-01-27 | — | — | EP | claimed |
| US-5600009-A | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 1997-02-04 | — | — | US | claimed |
| WO-1996040608-A2 | USE OF 4-SUBSTITUTED 2-BUTANONES TO PREPARE NABUMETONE | HOECHST CELANESE CORPORATION (US) | 1996-12-19 | — | — | WO | claimed |
| US-4348498-A | USING A ZIRCONIUM AND/OR TITANIUM CHELATE COMPOUND AND A COBALT AND/OR MANGANESE COMPOUND AS PROMOTER | NIPPON MINING COMPANY, LIMITED (JP) | 1982-09-07 | — | — | US | claimed |
| US-4128728-A | Production of 2,3,6-trimethylphenol | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | claimed |
| US-20230279230-A1 | CURABLE RESIN COMPOSITION, CURED FILM FORMED THEREFROM, AND ELECTRONIC DEVICE HAVING CURED FILM | SAMSUNG SDI CO., LTD. (KR) | 2023-09-07 | — | — | US | disclosed |
| CN-116283522-A | Synthesis method of 4-acetoxyl-2-methyl butyraldehyde | 上虞新和成生物化工有限公司 | 2023-06-23 | — | — | CN | disclosed |
| WO-2023086406-A1 | RUM REPLICAS | AVA FOOD LABS, INC. (US) | 2023-05-19 | — | — | WO | disclosed |
| CN-115551934-A | Curable resin composition, cured film formed therefrom, and electronic device having cured film | 三星SDI株式会社 | 2022-12-30 | — | — | CN | disclosed |
| US-20220179316-A1 | POLYIMIDE RESIN, POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, INSULATING FILM AND SEMICONDUCTOR DEVICE | LG CHEM, LTD. (KR) | 2022-06-09 | — | — | US | disclosed |
| US-4400479-A | ACRYLATED ALKYD RESIN, A POLYACRYLATE AND A CELLULOSE ESTER IN THE BINDER | AKZO NV (NL) | 1983-08-23 | — | — | US | disclosed |
| US-4348498-A | USING A ZIRCONIUM AND/OR TITANIUM CHELATE COMPOUND AND A COBALT AND/OR MANGANESE COMPOUND AS PROMOTER | NIPPON MINING COMPANY, LIMITED (JP) | 1982-09-07 | — | — | US | disclosed |
| US-4252748-A | Recovery of acetone produced by carbonylation | HALCON RESEARCH AND DEVELOPMENT CORPORATION (US) | 1981-02-24 | — | — | US | disclosed |
| US-4128728-A | Production of 2,3,6-trimethylphenol | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | disclosed |
| US-4033977-A | ANTIINFLAMMATORY, ANTIDEPRESSANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-07-05 | — | — | US | disclosed |