SCHEMBL805650

SCHEMBL805650

CCCOC(=O)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL805664 1.00 HCAR2 (0.40) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL17617139 1.00 HCAR2 (0.40) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL13667079 0.90 ALDH1A1 (0.37) ALDH1A1LMNATSHRHSD17B10CA1
SCHEMBL9893691 0.87 HSD17B10 (0.40) HCAR2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL310458 0.86 ALDH1A1 (0.54) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL13541256 0.86 ALDH1A1 (0.54) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL8954874 0.86 ALDH1A1 (0.54) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL3914212 0.84 DGKA (0.53) ALDH1A1LMNATSHRTDP1ATM
SCHEMBL2418446 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRCA1
SCHEMBL805653 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119213579-A Electrolyte composition for lithium ion battery cells having anodes comprising a blend of silicon-carbon composite particles and graphite particles 新罗纳米技术有限公司 2024-12-27 CN claimed
EP-4359496-A1 AROMA OR FRAGRANCE COMPOSITIONS, COMPRISING 4-METHYLHEPTAN-3-ONE, AND METHODS FOR PRODUCING THEM Symrise AG (DE) 2024-05-01 EP claimed
WO-2023177892-A1 ELECTROLYTE COMPOSITIONS FOR LITHIUM-ION BATTERY CELLS WITH ANODES COMPRISING A BLEND OF SILICON- CARBON COMPOSITE PARTICLES AND GRAPHITE PARTICLES SILA NANOTECHNOLOGIES, INC. (US) 2023-09-21 WO claimed
US-20230299362-A1 ELECTROLYTE COMPOSITIONS FOR LITHIUM-ION BATTERY CELLS WITH ANODES COMPRISING A BLEND OF SILICON-CARBON COMPOSITE PARTICLES AND GRAPHITE PARTICLES SILA NANOTECHNOLOGIES, INC. 2023-09-21 US claimed
WO-2022268285-A1 AROMA OR FRAGRANCE COMPOSITIONS, COMPRISING 4-METHYLHEPTAN-3-ONE, AND METHODS FOR PRODUCING THEM SYMRISE AG (DE) 2022-12-29 WO claimed
EP-2708592-B2 Fabric care composition PROCTER & GAMBLE (US) 2022-03-16 EP claimed
CN-112949984-B Multi-dimensional fusion identification method for fermentation degree of Meixiang fish based on smell visualization 中国水产科学研究院南海水产研究所 2021-10-26 CN claimed
CN-112949984-A Multi-dimensional fusion identification method for fermentation degree of Meixiang fish based on smell visualization 中国水产科学研究院南海水产研究所 2021-06-11 CN claimed
WO-2021053683-A1 PREDATOR FECES MIMIC REPELLENT COMPOSITION HEVER AMNON (IL) 2021-03-25 WO claimed
CN-111171884-A Valerate gasoline mixed fuel 中国科学院兰州化学物理研究所 2020-05-19 CN claimed
US-20140075686-A1 FABRIC CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2014-03-20 US claimed
US-20140075685-A1 FABRIC CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2014-03-20 US claimed
WO-2014043422-A1 FABRIC CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2014-03-20 WO claimed
WO-2014043423-A1 FABRIC CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2014-03-20 WO claimed
EP-2708592-A1 Fabric care composition The Procter & Gamble Company (US) 2014-03-19 EP claimed
EP-2708588-A1 Fabric care composition The Procter & Gamble Company (US) 2014-03-19 EP claimed
US-20130230781-A1 NON-AQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY USING THE SAME LG CHEM, LTD. (KR) 2013-09-05 US claimed
CN-101276936-A Non-aqueous electrolyte secondary cell SANYO ELECTRIC CO (JP) 2008-10-01 CN claimed
CN-1012896-B 5-(2, the 5-dimethyl phenoxy)-2,2-dimethyl valeric acid preparation method's improvement WARNER LAMBERT CO (US) 1991-06-19 CN claimed
CN-86108472-A 5-(2, the 5-dimethyl phenoxy)-2,2-dimethyl valeric acid preparation method's improvement 1987-07-22 CN claimed