SCHEMBL28510902

SCHEMBL28510902

CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].[Al+3]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.43
CES1 P23141 6/20 0.37
CES2 O00748 5/20 0.37
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC22A1 O15245 2/20 0.33
SLC22A2 O15244 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LSS P48449 1/20 0.32
CA1 P00915 1/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL28907 1.00 TSHR (0.46) TSHRLMNATHRBCES1CES2
Potassium Ion SCHEMBL7032417 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
Ammonia Solution, Strong SCHEMBL10803744 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
SCHEMBL1229359 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
SCHEMBL1228550 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
Lithium Ion SCHEMBL27262853 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
SCHEMBL1229985 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
SCHEMBL1230320 0.96 TSHR (0.43) TSHRLMNATHRBCES1CES2
SCHEMBL4425224 0.93 TSHR (0.40) TSHRLMNATHRBCES1CES2
Lithium Ion SCHEMBL8574419 0.93 TSHR (0.40) TSHRLMNATHRBCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107204291-B Method for manufacturing field effect transistor, memory element, display device, and system 株式会社理光 2021-01-12 CN disclosed
CN-101318882-A Method for preparing o-sec-butyl phenol HUNAN HAILI CHEMICAL CO LTD (CN) 2008-12-10 CN disclosed