⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12648287 | 1.00 | — | — | |
| SCHEMBL2728624 | 1.00 | — | — | |
| SCHEMBL11105090 | 0.87 | ALDH1A1 (0.56) | — | |
| SCHEMBL11105098 | 0.87 | ALDH1A1 (0.56) | — | |
| SCHEMBL19633528 | 0.83 | PPARA (0.45) | — | |
| Fumaric Acid SCHEMBL10381001 | 0.81 | FFAR3 (0.67) | — | |
| Maleic Acid SCHEMBL10381000 | 0.81 | FFAR3 (0.67) | — | |
| Fumaric Acid SCHEMBL15794260 | 0.81 | TSHR (0.69) | — | |
| Fumaric Acid SCHEMBL4237189 | 0.81 | TSHR (0.69) | — | |
| Maleic Acid SCHEMBL4240001 | 0.81 | TSHR (0.69) | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112094181-A | Synthesis method and application of 4-oxo-trans-2-hexenal analogue | 中国农业科学院植物保护研究所 | 2020-12-18 | — | — | CN | claimed |
| CN-113004269-B | Heterocyclic compounds of Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2024-11-05 | — | — | CN | disclosed |
| EP-3035929-B1 | 7A-AMIDE SUBSTITUTED-6,6-DIFLUORO BICYCLIC HIMBACINE DERIVATIVES | MERCK SHARP & DOHME LLC (US) | 2024-07-03 | — | — | EP | disclosed |
| EP-3035928-B1 | 3'-PYRIDYL SUBSTITUTED- 6,6-DIFLUORO BICYCLIC HIMBACINE DERIVATIVES | MERCK SHARP & DOHME LLC (US) | 2023-10-18 | — | — | EP | disclosed |
| CN-112094181-B | Synthesis method and application of 4-oxo-trans-2-hexenal analogue | 中国农业科学院植物保护研究所 | 2022-07-19 | — | — | CN | disclosed |
| CN-112094181-B | Synthesis method and application of 4-oxo-trans-2-hexenal analogue | 中国农业科学院植物保护研究所 | 2022-07-19 | — | — | CN | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-11116212-B2 | Carbonyl containing compounds for controlling and repelling Cimicidae populations | SEMIOSBIO TECHNOLOGIES INC. (CA) | 2021-09-14 | — | — | US | disclosed |
| CN-113004269-A | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-112094181-A | Synthesis method and application of 4-oxo-trans-2-hexenal analogue | 中国农业科学院植物保护研究所 | 2020-12-18 | — | — | CN | disclosed |
| US-20100041693-A1 | INDOLYLMALEIMIDE DERIVATIVES | NOVARTIS AG (CH) | 2010-02-18 | — | — | US | disclosed |
| EP-2094689-A2 | INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS | Novartis AG (CH) | 2009-09-02 | — | — | EP | disclosed |
| US-7572795-B2 | Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| US-7566787-B2 | Small molecule cyclin D1 ablative agents | THE OHIO STATE UNIVERSITY (US) | 2009-07-28 | — | — | US | disclosed |
| US-20090156555-A1 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-06-18 | — | — | US | disclosed |
| WO-2008074752-A2 | INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2008-06-26 | — | — | WO | disclosed |
| US-20070213300-A1 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-09-13 | — | — | US | disclosed |
| US-20050032874-A1 | Anticholesterol agents; arteriosclerosis | BAYER AKTIENGESELLSCHAFT (DE) | 2005-02-10 | — | — | US | disclosed |
| US-6794406-B2 | FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA | BAYER AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| US-20030078288-A1 | Indole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2003-04-24 | — | — | US | disclosed |