SCHEMBL20136301

SCHEMBL20136301

C=CC(=O)OC(CCCCC)C(C)CC(CC)CCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
HPGD P15428 1/20 0.37
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 3/20 0.36
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 2/20 0.32
ABCB1 P08183 1/20 0.32
CTSK P43235 1/20 0.32
FAAH O00519 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
SCHEMBL21461424 0.82 TSHR (0.57) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL2819266 0.81 TSHR (0.60) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL7622076 0.79 TSHR (0.60) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL28841477 0.78 TSHR (0.44) TSHRHPGDALDH1A1THRBCA1
SCHEMBL465670 0.78 TSHR (0.44) TSHRHPGDTHRBCA1ABCB1
SCHEMBL14120243 0.78 TSHR (0.44) TSHRHPGDTHRBCA1ABCB1
SCHEMBL8857632 0.78 TSHR (0.50) TSHRHPGDCYP3A4ATMCA2
SCHEMBL8350321 0.77 TSHR (0.43) TSHRHPGDTHRBCA1ABCB1
SCHEMBL28391986 0.77 TSHR (0.43) TSHRHPGDABCB1FAAH
SCHEMBL28195499 0.77 TSHR (0.43) TSHRHPGDABCB1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541855-B1 ULTRA-HIGH SOLIDS EMULSION AND APPLICATION ARKEMA FRANCE (FR) 2022-12-07 EP disclosed
EP-3541855-A1 ULTRA-HIGH SOLIDS EMULSION AND APPLICATION Hercules LLC (US) 2019-09-25 EP disclosed
WO-2018093769-A1 ULTRA-HIGH SOLIDS EMULSION AND APPLICATION HERCULES INCORPORATED (US) 2018-05-24 WO disclosed
US-20180134888-A1 ULTRA-HIGH SOLIDS EMULSION AND APPLICATION HERCULES LLC (DE) 2018-05-17 US disclosed