SCHEMBL8617574

SCHEMBL8617574

CC(CCO)CC(C)(C)C.O=C(O)CCCCC(=O)OCC(CO)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
PAM P19021 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPT P10636 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30

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
SCHEMBL8349516 0.91 TSHR (0.32) TSHRPAMGPR84FFAR1FFAR4
Adipic Acid SCHEMBL8333196 0.84 GPR84 (0.43) TSHRGPR84FFAR1FFAR4GABRP
Sebacic Acid SCHEMBL28864413 0.83 GPR84 (0.47) TSHRGPR84FFAR1FFAR4TDP1
SCHEMBL722972 0.81 LMNA (0.44) TSHRPAMGPR84FFAR1FFAR4
SCHEMBL8152682 0.80 DGKA (0.40) TSHRPAMFFAR4MAPTCYP3A4
SCHEMBL9994012 0.80 TSHR (0.46) TSHRPAMGPR84FFAR1FFAR4
Stearic Acid SCHEMBL3690423 0.76 PAM (0.57) TSHRPAMGPR84FFAR1FFAR4
Adipic Acid SCHEMBL11224619 0.76 PAM (0.57) TSHRPAMGPR84FFAR1FFAR4
Palmitic Acid SCHEMBL9068632 0.76 PAM (0.57) TSHRPAMGPR84FFAR1FFAR4
Stearic Acid SCHEMBL9068352 0.76 PAM (0.57) TSHRPAMGPR84FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880495-A1 HIGH STABILITY AND LOW METALS ESTERS BASED ON 3,5,5-TRIMETHYL-1-HEXANOL EXXON CHEMICAL PATENTS INC. (US) 1998-12-02 EP disclosed
US-5798319-A SYNTHETIC ESTER COMPOSITION EXHIBITING THERMAL AND OXIDATIVE STABILITY EXXON CHEMICAL PATENTS INC. (US) 1998-08-25 US disclosed
WO-1997026238-A1 HIGH STABILITY AND LOW METALS ESTERS BASED ON 3,5,5-TRIMETHYL-1-HEXANOL EXXON CHEMICAL PATENTS INC. (US) 1997-07-24 WO disclosed