⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5500006 | 1.00 | — | — | |
| SCHEMBL12586784 | 1.00 | — | — | |
| SCHEMBL11766495 | 0.79 | — | — | |
| SCHEMBL13176598 | 0.78 | — | — | |
| SCHEMBL28196253 | 0.77 | — | — | |
| SCHEMBL2154299 | 0.76 | — | — | |
| SCHEMBL12317549 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL1325431 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL13176973 | 0.76 | — | — | |
| SCHEMBL13176943 | 0.76 | — | — |
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 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114100640-B | Inorganic solid super acidic supported palladium catalyst, preparation method thereof and method for producing 1, 4-butanediol | 万华化学集团股份有限公司 | 2023-08-11 | — | — | CN | claimed |
| CN-110818544-A | Preparation method of tiglic aldehyde | 厦门本素药业有限公司 | 2020-02-21 | — | — | CN | claimed |
| EP-2951141-B1 | PROCESS FOR PRODUCING POLYOLS | EASTMAN CHEM CO (US) | 2019-06-19 | — | — | EP | claimed |
| EP-2951144-B1 | PREPARATION OF HYDROXY ALDEHYDES | EASTMAN CHEM CO (US) | 2017-07-05 | — | — | EP | claimed |
| US-20150368171-A1 | PROCESS FOR PRODUCING POLYOLS | EASTMAN CHEMICAL COMPANY (US) | 2015-12-24 | — | — | US | claimed |
| EP-2951144-A1 | PREPARATION OF HYDROXY ALDEHYDES | Eastman Chemical Company (US) | 2015-12-09 | — | — | EP | claimed |
| EP-2951141-A1 | PROCESS FOR PRODUCING POLYOLS | Eastman Chemical Company (US) | 2015-12-09 | — | — | EP | claimed |
| CN-105073702-A | Preparation of hydroxy aldehydes | EASTMAN CHEM CO | 2015-11-18 | — | — | CN | claimed |
| CN-105008317-A | Process for preparing polyols | EASTMAN CHEM CO | 2015-10-28 | — | — | CN | claimed |
| US-9056824-B2 | Preparation of hydroxy aldehydes | EASTMAN CHEMICAL COMPANY (US) | 2015-06-16 | — | — | US | claimed |
| WO-2011000753-A1 | METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES | BIOCRATES LIFE SCIENCES AG (AT) | 2011-01-06 | — | — | WO | claimed |
| EP-2270699-A1 | Method for normalization in metabolomics analysis methods with endogenous reference metabolites | BIOCRATES Life Sciences AG (AT) | 2011-01-05 | — | — | EP | claimed |
| EP-1754700-A2 | Synthesis of oligoketides | Kosan Biosciences, Inc. (US) | 2007-02-21 | — | — | EP | claimed |
| US-20030096374-A1 | Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer | ASHLEY GARY (US) | 2003-05-22 | — | — | US | claimed |
| US-20030092140-A1 | Novel polyketides and antibiotics | ASHLEY GARY (US) | 2003-05-15 | — | — | US | claimed |
| JP-2002535387-A | — | — | 2002-10-22 | — | — | JP | claimed |
| EP-1144375-A2 | SYNTHESIS OF OLIGOKETIDES | Kosan Biosciences (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000044717-A9 | SYNTHESIS OF OLIGOKETIDES | — | 2001-08-23 | — | — | WO | claimed |
| WO-2000044717-A2 | SYNTHESIS OF OLIGOKETIDES | KOSAN BIOSCIENCES, INC. (US) | 2000-08-03 | — | — | WO | claimed |
| US-4196269-A | UNSATURATED POLYESTER, ALKYLADEHYDE PEROXIDE | AKZONA INCORPORATED (US) | 1980-04-01 | — | — | US | claimed |