SCHEMBL28334755

SCHEMBL28334755

C=C(C)C(=O)OCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCc1ccccc1.C=CN1CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.39
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRM5 P08912 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM3 P20309 5/20 0.37
MBOAT4 Q96T53 1/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 1/20 0.36
CETP P11597 3/20 0.35

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
SCHEMBL28687559 1.00 TSHR (0.45) TSHRTDP1POLBAPEX1HTT
SCHEMBL28631414 1.00 TSHR (0.45) TSHRTDP1POLBAPEX1HTT
SCHEMBL28459161 0.89 TSHR (0.57) TSHRTDP1POLBAPEX1HTT
Methacrylic Acid SCHEMBL17823491 0.88 TSHR (0.53) TSHRTDP1POLBAPEX1HTT
Acrylic Acid SCHEMBL6129067 0.87 TSHR (0.52) TSHRTDP1POLBAPEX1HTT
Methacrylic Acid SCHEMBL10598884 0.87 TSHR (0.51) TSHRTDP1POLBAPEX1HTT
SCHEMBL28333123 0.85 TSHR (0.55) TSHRTDP1POLBAPEX1HTT
SCHEMBL10598332 0.85 TSHR (0.49) TSHRTDP1POLBAPEX1HTT
SCHEMBL10674859 0.84 HCAR2 (0.38) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL7107538 0.82 TSHR (0.67) TSHRTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110437898-B Ternary polymer composite diesel pour point depressant and preparation method and application thereof 上海应用技术大学 2021-09-28 CN claimed
CN-110591779-A High-efficiency biodiesel pour point depressant composition and preparation method and application thereof 上海应用技术大学 2019-12-20 CN claimed
CN-110437898-B Ternary polymer composite diesel pour point depressant and preparation method and application thereof 上海应用技术大学 2021-09-28 CN disclosed
CN-110437898-B Ternary polymer composite diesel pour point depressant and preparation method and application thereof 上海应用技术大学 2021-09-28 CN disclosed
CN-110172366-B Ternary polymer biodiesel pour point depressant, preparation and application thereof 上海应用技术大学 2021-08-17 CN disclosed
CN-110591779-A High-efficiency biodiesel pour point depressant composition and preparation method and application thereof 上海应用技术大学 2019-12-20 CN disclosed
CN-110591779-A High-efficiency biodiesel pour point depressant composition and preparation method and application thereof 上海应用技术大学 2019-12-20 CN disclosed