SCHEMBL4741981

SCHEMBL4741981

CCC(=O)OCCC(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.38
HTT P42858 1/20 0.36
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DGKA P23743 1/20 0.34
RECQL P46063 1/20 0.33
CYP19A1 P11511 1/20 0.33
DNM1 Q05193 1/20 0.32
ESR1 P03372 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
SCHEMBL17451619 0.90 NAAA (0.48) NAAATSHRCYP3A4ATMTDP1
SCHEMBL30166467 0.87 NAAA (0.55) NAAATSHRCYP3A4ATMTDP1
SCHEMBL2967819 0.86 MGAM (0.48) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28700365 0.86 TSHR (0.48) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28399409 0.86 NAAA (0.55) NAAATSHRCYP3A4ATMTDP1
SCHEMBL4740300 0.85 NAAA (0.59) NAAATSHRCYP3A4ATMTDP1
SCHEMBL9893284 0.85 NAAA (0.40) NAAATSHRCYP3A4ATMTDP1
SCHEMBL14991273 0.81 ALDH1A1 (0.43) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL6789288 0.80 NAAA (0.47) NAAAGAAHTTHIF1AALDH1A1
SCHEMBL17987766 0.80 NAAA (0.47) NAAAGAAHTTHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558654-A4 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2006-04-05 EP claimed
EP-1558654-A2 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF Fujifilm Electronic Materials USA, Inc. (US) 2005-08-03 EP claimed
WO-2004040371-A2 NOVEL COPOLYMER AND PHOTORESIST COMPOSITIONS THEREOF ARCH SPECIALTY CHEMICALS, INC. (US) 2004-05-13 WO claimed
CN-112867703-A Ethers and esters of tertiary alkanols as fragrance chemicals 巴斯夫欧洲公司 2021-05-28 CN disclosed
WO-2020079011-A1 ETHERS AND ESTERS OF TERTIARY ALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-23 WO disclosed
WO-2008098189-A1 PHOTOSENSITIVE COMPOSITIONS EMPLOYING SILICON-CONTAINING ADDITIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-08-14 WO disclosed
EP-1558654-A4 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2006-04-05 EP disclosed
EP-1558654-A2 NOVEL COPOLYMER, PHOTORESIST COMPOSITIONS THEREOF AND DEEP UV BILAYER SYSTEM THEREOF Fujifilm Electronic Materials USA, Inc. (US) 2005-08-03 EP disclosed
WO-2004040371-A2 NOVEL COPOLYMER AND PHOTORESIST COMPOSITIONS THEREOF ARCH SPECIALTY CHEMICALS, INC. (US) 2004-05-13 WO disclosed