⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497542 | 0.79 | — | — | |
| SCHEMBL4200104 | 0.72 | — | — | |
| Propiolic Acid SCHEMBL1077 | 0.70 | — | — | |
| Propiolic Acid SCHEMBL4192977 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL2747073 | 0.67 | LDHA (0.33) | — | |
| Propiolic Acid SCHEMBL9815678 | 0.67 | — | — | |
| Propiolic Acid SCHEMBL1569415 | 0.67 | — | — | |
| Propiolic Acid SCHEMBL6666580 | 0.67 | CA1 (0.33) | — | |
| Propiolic Acid SCHEMBL9426991 | 0.67 | CA1 (0.33) | — | |
| Propiolic Acid SCHEMBL18047804 | 0.67 | — | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104769119-A | Methods for biosynthesizing 1,3 butadiene | INVISTA TECH SARL | 2015-07-08 | — | — | CN | claimed |
| US-20150133524-A1 | PYRUVATE DEHYROGENASE KINASES AS THERAEUTIC TARGETS FOR CANCER AND ISCHEMIC DISEASES | UNIV JOHNS HOPKINS (US) | 2015-05-14 | — | — | US | claimed |
| CN-104321434-A | Methods for biosynthesizing 1,3butadiene | INVISTA TECH SARL | 2015-01-28 | — | — | CN | claimed |
| CN-102993072-A | Method for producing methionine | SUMITOMO CHEMICAL CO | 2013-03-27 | — | — | CN | claimed |
| US-20090209618-A1 | Pyruvate dehydrogenase kinases as therapeutic targets for cancer and ischemic diseases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-08-20 | — | — | US | claimed |
| WO-2006042062-A2 | PYRUVATE DEHYDROGENASE KINASES AS THERAPEUTIC TARGETS FOR CANCER AND ISCHEMIC DISEASES | THE JOHNS HOPKINS UNIVERSITY (US) | 2006-04-20 | — | — | WO | claimed |
| US-6204220-B1 | AS HERBICIDES FOR CONTROLLING UNWANTED VEGETATION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2001-03-20 | — | — | US | claimed |
| US-20230067928-A1 | METHODS FOR PROGNOSING AND PREVENTING METASTATIC LIVER DISEASE | UNIV CORNELL (US) | 2023-03-02 | — | — | US | disclosed |
| US-11397182-B2 | Methods for prognosing and preventing metastatic liver disease | CORNELL UNIVERSITY (US) | 2022-07-26 | — | — | US | disclosed |
| CN-110352011-A | Change or enhance the flavor of food and beverage product | 泰特&莱尔组分美国公司 | 2019-10-18 | — | — | CN | disclosed |
| EP-2435552-B1 | SOLVENT, SOLUTION, CLEANING COMPOSITION AND METHODS | GFBIOCHEMICALS IP ASSETS B V (NL) | 2018-10-17 | — | — | EP | disclosed |
| CN-105026374-B | Enkephalinase inhibitor | 施万生物制药研发IP有限责任公司 | 2018-08-24 | — | — | CN | disclosed |
| EP-2981264-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2018-04-25 | — | — | EP | disclosed |
| WO-2009146202-A2 | TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS | SEGETIS, INC. (US) | 2009-12-03 | — | — | WO | disclosed |
| US-20090209618-A1 | Pyruvate dehydrogenase kinases as therapeutic targets for cancer and ischemic diseases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-08-20 | — | — | US | disclosed |
| WO-2009048874-A1 | METHOD OF MAKING KETALS AND ACETALS | SEGETIS, INC. (US) | 2009-04-16 | — | — | WO | disclosed |
| WO-2009049041-A2 | POLYKETAL COMPOUNDS, SYNTHESIS, AND APPLICATIONS | SEGETIS, INC. (US) | 2009-04-16 | — | — | WO | disclosed |
| WO-2009032905-A1 | KETAL COMPOUNDS FROM POLYOLS AND OXOCARBOXYLATES | SEGETIS, INC. (US) | 2009-03-12 | — | — | WO | disclosed |
| WO-2006042062-A2 | PYRUVATE DEHYDROGENASE KINASES AS THERAPEUTIC TARGETS FOR CANCER AND ISCHEMIC DISEASES | THE JOHNS HOPKINS UNIVERSITY (US) | 2006-04-20 | — | — | WO | disclosed |
| US-6204220-B1 | AS HERBICIDES FOR CONTROLLING UNWANTED VEGETATION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2001-03-20 | — | — | US | disclosed |