SCHEMBL432847

SCHEMBL432847

C/C=C(/C)C(=O)OC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL306388 1.00
SCHEMBL434314 1.00
SCHEMBL28013459 1.00
Ammonia Solution, Strong SCHEMBL27612265 0.97
SCHEMBL28939555 0.97
SCHEMBL28836814 0.97
Hydrochloric Acid SCHEMBL28546810 0.97
SCHEMBL7639684 0.97
Bicarbonate SCHEMBL28486188 0.94 ALDH1A1 (0.43)
Trimethylammonium SCHEMBL27871906 0.92 ALDH1A1 (0.42)

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 237 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244996-B1 CATALYST FOR OXIDATIVE ESTERIFICATION OF ALDEHYDES TO CARBOXYLIC ACID ESTERS ROEHM GMBH (DE) 2022-06-15 EP claimed
CN-112147250-B UPC2-PDA-Q-Tof/MS detection method for 44 effective components in Chinese angelica wine 安徽瑞思威尔科技有限公司 2022-04-12 CN claimed
CN-112147250-A UPC2-PDA-Q-Tof/MS detection method for 44 effective components in Chinese angelica wine 安徽瑞思威尔科技有限公司 2020-12-29 CN claimed
EP-3640236-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2020-04-22 EP claimed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP claimed
US-9676698-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2017-06-13 US claimed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 US claimed
US-20150315118-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2015-11-05 US claimed
US-8901356-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2014-12-02 US claimed
US-20130177952-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE Hogberg, Thomas (DK) 2013-07-11 US claimed
EP-2595948-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2013-05-29 EP claimed
WO-2012010172-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO PHARMA A/S (DK) 2012-01-26 WO claimed
US-6515089-B1 Radical copolymerization of a vinyl- containing porphyrin compound and a radically polymerizable monomer, thereby obtaining a porphyrin-nucleus introduced polymer, of controlling reactivity of the porphyrin-nucleus introduced KOWA CO., LTD. (JP) 2003-02-04 US claimed
US-6437067-B1 Porphyrin-nucleus introduced polymers KOWA CO., LTD. (JP) 2002-08-20 US claimed
US-4613680-A ISOMERIZATION TORAY INDUSTRIES, INC. (JP) 1986-09-23 US claimed
US-20260096991-A1 BIODEGRADABLE MICROCAPSULES AND METHOD FOR THEIR PREPARATION XAMPLA LTD (GB) 2026-04-09 US disclosed
EP-4703347-A1 POLYMETHYLMETHACRYLATE FROM CO2 OF THE ATMOSPHERE VOLKSWAGEN AG (DE) 2026-03-04 EP disclosed
US-4404184-A Flavoring with methyl-thio-2-methyl-2-pentenoate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-09-13 US disclosed
US-4400390-A TASTE AND FLAVOR ENHANCERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-08-23 US disclosed
US-3998873-A ORGANOLEPTICS, PERFUMES, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-21 US disclosed