SCHEMBL23214815

SCHEMBL23214815

CCCC(CC)C(CCC)(CCC)C(=O)[O-].CCCC(CC)C(CCC)(CCC)C(=O)[O-].CCCC(CC)C(CCC)(CCC)C(=O)[O-].[Al+3]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA2 P00918 3/20 0.33
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL28668097 0.86 CYP3A4 (0.40) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL17267255 0.82 CYP3A4 (0.40) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL15865490 0.82 CYP3A4 (0.40) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL6112942 0.82 CYP3A4 (0.40) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL28291050 0.80 CHRM1 (0.38) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL28685445 0.78 CHRM1 (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL12504280 0.74
SCHEMBL389393 0.74 CA2 (0.36) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL14733491 0.72 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29240857 0.71 CHRM1 (0.41) CYP3A4TSHRNFKB1NPSR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874450-A Liquid electrophotographic ink composition 惠普发展公司,有限责任合伙企业 2021-12-31 CN claimed
US-20220066347-A1 LIQUID ELECTROPHOTOGRAPHIC INK COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-03-03 US disclosed
CN-113874450-A Liquid electrophotographic ink composition 惠普发展公司,有限责任合伙企业 2021-12-31 CN disclosed
EP-3914657-A1 LIQUID ELECTROPHOTOGRAPHIC INK COMPOSITIONS Hewlett-Packard Development Company, L.P. (US) 2021-12-01 EP disclosed
WO-2021071504-A1 LIQUID ELECTROPHOTOGRAPHIC INK COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-04-15 WO disclosed