SCHEMBL28048937

SCHEMBL28048937

C=C(C)C(=O)OCCOP(=O)(O)OCC(OCCCC)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.41
P2RY10 O00398 6/20 0.38
GPR34 Q9UPC5 2/20 0.38
FABP3 P05413 1/20 0.36
PLA2G2C Q5R387 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 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
SCHEMBL28110717 0.86 TSHR (0.57) TSHRTHRBP2RY10GPR34POLB
SCHEMBL27969779 0.81 CYP3A4 (0.49) TSHRTHRBP2RY10GPR34FABP3
SCHEMBL3447120 0.81 TSHR (0.68) TSHRTHRBP2RY10GPR34LPAR1
SCHEMBL3447617 0.81 TSHR (0.68) TSHRTHRBP2RY10GPR34LPAR1
SCHEMBL3446965 0.81 TSHR (0.68) TSHRTHRBP2RY10GPR34LPAR1
SCHEMBL3447203 0.81 TSHR (0.68) TSHRTHRBP2RY10GPR34LPAR1
SCHEMBL28066767 0.81 TSHR (0.62) TSHRTHRBP2RY10GPR34POLB
SCHEMBL5852791 0.80 THRB (0.53) TSHRTHRBP2RY10GPR34POLB
SCHEMBL31091982 0.80 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15194 0.80 THRB (0.55) TSHRTHRBPOLBAPEX1HTT

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-104685673-B Method for producing positive electrode for secondary battery, and method for producing laminate for secondary battery 日本瑞翁株式会社 2017-09-22 CN disclosed
CN-105122521-B Binder composition for lithium ion secondary battery, slurry composition for lithium ion secondary battery, electrode for lithium ion secondary battery, and method for producing binder composition for lithium ion secondary battery 日本瑞翁株式会社 2017-07-28 CN disclosed
CN-104221194-B Lithium ion secondary battery 日本瑞翁株式会社 2016-11-23 CN disclosed
CN-104145359-B Secondary battery negative pole adhesive composition, secondary battery cathode, secondary battery negative pole paste compound, manufacture method and secondary cell 日本瑞翁株式会社 2016-06-22 CN disclosed
CN-103890124-B The current collector of conductive adhesive composition, band bond layer and electro-chemical element electrode ZEON CORP. (JP) 2016-01-20 CN disclosed