SCHEMBL21832

SCHEMBL21832

CCCC(=O)CC(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MGAM O43451 1/20 0.64
SI P14410 1/20 0.64
MGAM2 Q2M2H8 1/20 0.64
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 2/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Ammonia Solution, Strong SCHEMBL28164171 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28142546 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Fluoride SCHEMBL28327166 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28167636 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17433547 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17433596 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28225600 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Propane SCHEMBL28283402 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27604412 0.96 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3297476 0.96 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1

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 1896 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087561-A1 RETARDING AGENT IN ISOCYANATE COMPONENT OF POLYURETHANE/UREA CEMENTITIOUS HYBRID SYSTEMS SIKA TECHNOLOGY AG (CH) 2026-04-30 WO claimed
EP-4733284-A1 RETARDING AGENT IN ISOCYANATE COMPONENT OF POLYURETHANE/UREA CEMENTITIOUS HYBRID SYSTEMS Sika Technology AG (CH) 2026-04-29 EP claimed
CN-118033023-A Lung cancer biomarker and application thereof 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2024-05-14 CN claimed
CN-113652407-B Carbonyl reductase mutant and application thereof in asymmetric synthesis of chiral compound 浙江工业大学 2024-01-16 CN claimed
CN-114195661-B Preparation method of milobalin benzenesulfonate 苏州楚凯药业有限公司 2023-12-22 CN claimed
CN-116655934-A Crystalline polymer containing quadruple hydrogen bonds and preparation method thereof 上海大学 2023-08-29 CN claimed
CN-116381073-A Application of biomarker in preparation of lung cancer detection reagent and method 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2023-07-04 CN claimed
US-20230194554-A1 USE OF BIOMARKER IN PREPARATION OF LUNG CANCER DETECTION REAGENT AND RELATED METHOD SUN YAT-SEN UNIVERSITY CANCER CENTER (THE AFFILIATED CANCER HOSPITAL OF SUN YAT-SEN UNIVERSITY, THE CANCER RESEARCH INSTITUTE OF SUN YAT-SEN UNIVERSITY) (CN) 2023-06-22 US claimed
CN-107876092-B Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2023-01-10 CN claimed
EP-4063422-A1 1,3-DICARBONYL COMPOUNDS AS RETARDING ADDITIVES FOR UCRETE SYSTEMS Construction Research & Technology GmbH (DE) 2022-09-28 EP claimed
EP-0892774-A4 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO ANADYS PHARMACEUTICALS INC (US) 2001-10-04 EP claimed
US-6184413-B1 ASYMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS (NAPROXEN) INCLUDING HYDROGENATION OF UNSATURATED COMPOUNDS, KETONES AND IMINES USING A METAL COMPLEX CATALYST HAVING A 2,2'-BIS)DI-PHENYLPHOSPHINO)-1,1'-BINAPHTHYL LIGAND ON AN ALCOHOL-2+ CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-02-06 US claimed
JP-3043813-B2 2000-05-22 JP claimed
US-5986111-A CONDENSATION OF ALDEHYDE WITH PYRONE TO FORM ADDUCT, OXIDATION AND SAPONIFICATION SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP claimed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 WO claimed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO claimed
EP-0775130-A1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1997-05-28 EP claimed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 WO claimed
US-5489697-A Method for the preparation of (+)-calanolide A and intermediates thereof MEDICHEM RESEARCH, INC. (US) 1996-02-06 US claimed