⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105334 | 1.00 | — | — | |
| SCHEMBL3410212 | 1.00 | — | — | |
| Water SCHEMBL27388710 | 0.97 | — | — | |
| SCHEMBL28235984 | 0.97 | — | — | |
| SCHEMBL6506163 | 0.97 | — | — | |
| Acetone SCHEMBL28582193 | 0.91 | MAPK1 (0.36) | — | |
| Acetaldehyde SCHEMBL10934614 | 0.91 | — | — | |
| SCHEMBL18268923 | 0.84 | — | — | |
| SCHEMBL577023 | 0.84 | — | — | |
| Butyrolactone SCHEMBL28732820 | 0.83 | CA1 (0.50) | — |
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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101104579-B | Preparation method of 2-ramification of methyl diol in optical purity | SHANGHAI INST ORGANIC CHEM | 2011-06-15 | — | — | CN | claimed |
| CN-101104577-B | Preparation method of 2-ramification of methyl diol in optical purity | SHANGHAI INST ORGANIC CHEM | 2011-06-15 | — | — | CN | claimed |
| CN-101104578-B | Preparation method of 2-ramification of methyl diol in optical purity | SHANGHAI INST ORGANIC CHEM | 2011-06-15 | — | — | CN | claimed |
| CN-100548965-C | ω-the hydroxy-acid derivative of band chirality methyl side chain | SHANGHAI INST ORGANIC CHEM (CN) | 2009-10-14 | — | — | CN | claimed |
| CN-101104578-A | Optically pure sulfur-containing methyl alkyl alcohol compound | SHANGHAI INST ORGANIC CHEM (CN) | 2008-01-16 | — | — | CN | claimed |
| CN-101104577-A | Optically pure methyl halogenated alkyl alcohol derivative | SHANGHAI INST ORGANIC CHEM (CN) | 2008-01-16 | — | — | CN | claimed |
| CN-101104579-A | Optically pure carbonyl substituted alkyl alcohol derivative | SHANGHAI INST ORGANIC CHEM (CN) | 2008-01-16 | — | — | CN | claimed |
| CN-1660766-A | Ramification of omega oxyacid with lateral chain of chirality methyl | SHANGHAI INST ORGANIC CHEM (CN) | 2005-08-31 | — | — | CN | claimed |
| CN-1120844-C | Lactone compound and its synthesis and use | SHANGHAI INST ORGANIC CHEM (CN) | 2003-09-10 | — | — | CN | claimed |
| CN-1299821-A | Lactone compound and its synthesis and use | SHANGHAI INST ORGANIC CHEM (CN) | 2001-06-20 | — | — | CN | claimed |
| US-20230159466-A1 | INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF | ARCUS BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| US-20230159466-A1 | INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF | ARCUS BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| WO-2023077046-A1 | INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF | ARCUS BIOSCIENCES, INC. (US) | 2023-05-04 | — | — | WO | disclosed |
| EP-3998261-A1 | PYRIMIDIN-2-YLAMINO-1H-PYRAZOLS AS LRRK2 INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS | Denali Therapeutics Inc. (US) | 2022-05-18 | — | — | EP | disclosed |
| US-11247976-B2 | Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2022-02-15 | — | — | US | disclosed |
| CN-1660741-A | Optically pure 2-methyl alkyl diol derivative | SHANGHAI INST ORGANIC CHEM (CN) | 2005-08-31 | — | — | CN | disclosed |
| CN-1660741-A | Optically pure 2-methyl alkyl diol derivative | SHANGHAI INST ORGANIC CHEM (CN) | 2005-08-31 | — | — | CN | disclosed |
| CN-1660766-A | Ramification of omega oxyacid with lateral chain of chirality methyl | SHANGHAI INST ORGANIC CHEM (CN) | 2005-08-31 | — | — | CN | disclosed |
| CN-1120844-C | Lactone compound and its synthesis and use | SHANGHAI INST ORGANIC CHEM (CN) | 2003-09-10 | — | — | CN | disclosed |
| CN-1299821-A | Lactone compound and its synthesis and use | SHANGHAI INST ORGANIC CHEM (CN) | 2001-06-20 | — | — | CN | disclosed |