SCHEMBL10048451

SCHEMBL10048451

O=C(CCCCO)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
ALDH1A1 P00352 8/20 0.51
POLB P06746 5/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
RECQL P46063 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALOX15 P16050 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
MAPT P10636 1/20 0.51
PTPN1 P18031 1/20 0.50
CTNNB1 P35222 5/20 0.48
WNT3A P56704 5/20 0.48
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 4/20 0.44

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
SCHEMBL5634307 0.98 CES1 (0.53) CES2CES1ALDH1A1POLBHPGD
SCHEMBL8544013 0.88 CES2 (0.64) CES2CES1ALDH1A1POLBHPGD
SCHEMBL2526232 0.86 CES2 (0.61) CES2CES1ALDH1A1POLBHPGD
SCHEMBL1651850 0.84 CES2 (0.70) CES2CES1ALDH1A1POLBHPGD
SCHEMBL1531620 0.84 GAA (0.57) CES2CES1ALDH1A1POLBHPGD
SCHEMBL3381517 0.84 MAPT (0.55) CES2CES1ALDH1A1POLBHPGD
SCHEMBL25222615 0.82 GAA (0.59) CES2CES1ALDH1A1POLBHPGD
SCHEMBL10353082 0.82 GAA (0.59) CES2CES1ALDH1A1POLBHPGD
SCHEMBL18825687 0.82 GAA (0.59) CES2CES1ALDH1A1POLBHPGD
SCHEMBL4373141 0.82 GAA (0.59) CES2CES1ALDH1A1POLBHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106568871-B Preparation method of standard oil sample for measuring furfural content in transformer oil 深圳供电局有限公司 2019-12-03 CN claimed
CN-106568871-A Preparation method of standard oil sample for measuring furfural content in transformer oil 深圳供电局有限公司 2017-04-19 CN claimed
CN-113501798-B Method for preparing alkyl furoate by oxidizing and esterifying furfural 中国科学院兰州化学物理研究所 2023-03-17 CN disclosed
CN-113501798-A Method for preparing alkyl furoate by oxidizing and esterifying furfural 中国科学院兰州化学物理研究所 2021-10-15 CN disclosed
CN-106568871-B Preparation method of standard oil sample for measuring furfural content in transformer oil 深圳供电局有限公司 2019-12-03 CN disclosed
CN-106568871-A Preparation method of standard oil sample for measuring furfural content in transformer oil 深圳供电局有限公司 2017-04-19 CN disclosed
US-8916717-B2 Dioxaspiroketal derivatives, process for their preparation and uses thereof CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2014-12-23 US disclosed
EP-2027115-B1 DIOXASPIROKETAL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USES THEREOF CNR CONSIGLIO NAZ DELLE RICERCHE (IT) 2012-01-11 EP disclosed