SCHEMBL4329256

SCHEMBL4329256

CC(O)CC(C)(O)CO

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
SCHEMBL21067517 1.00
Hexylene Glycol SCHEMBL20817129 0.93 TDP1 (0.35)
Hexylene Glycol SCHEMBL20817130 0.93 TDP1 (0.35)
SCHEMBL16074731 0.85 MAPK1 (0.39)
SCHEMBL16885351 0.80
SCHEMBL16885340 0.80
SCHEMBL8368910 0.80
SCHEMBL11414197 0.79 TDP1 (0.36)
SCHEMBL6579595 0.79 TDP1 (0.32)
SCHEMBL23856094 0.78 MAPK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4320026-A Alkaline detergent composition and method of inhibiting discoloration of said detergent composition BRENT CHEMICALS CORPORATION (US) 1982-03-16 US claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
CN-110248795-A Novel mold design for property enhancement 沙特基础工业全球技术公司 2019-09-17 CN disclosed
CN-106029723-B Composition flexible with enhancing 莫门蒂夫性能材料股份有限公司 2019-07-09 CN disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20140273448-A1 COMPOSITION FOR FORMING TITANIUM-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
CN-1878862-A MASP-2 crystal structure and uses thereof NATIMMUNE AS (DK) 2006-12-13 CN disclosed
US-7142801-B2 Image forming apparatus and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2006-11-28 US disclosed
US-20060029439-A1 Image forming apparatus and image forming method KONICA MINOLTA HOLDINGS, INC. 2006-02-09 US disclosed
US-20040190951-A1 Image forming apparatus and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2004-09-30 US disclosed