SCHEMBL6418779

SCHEMBL6418779

C=C(C)C(=O)OCCCCCCOC(=O)CC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.72
NAAA Q02083 1/20 0.62
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
THRB P10828 1/20 0.53
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.40
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.36
DNM1 Q05193 1/20 0.36

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
SCHEMBL18214977 0.98 TSHR (0.69) TSHRNAAAHTTPOLBAPEX1
SCHEMBL14214966 0.94 TSHR (0.63) TSHRNAAAHTTPOLBAPEX1
SCHEMBL1652027 0.90 THRB (0.64) TSHRNAAAHTTPOLBAPEX1
SCHEMBL28050716 0.88 TSHR (0.71) TSHRNAAAHTTPOLBAPEX1
SCHEMBL12402241 0.88 TSHR (0.71) TSHRNAAAHTTPOLBAPEX1
SCHEMBL11221480 0.88 TSHR (0.71) TSHRNAAAHTTPOLBAPEX1
SCHEMBL22554406 0.88 TSHR (0.83) TSHRNAAAHTTPOLBAPEX1
SCHEMBL22554427 0.88 TSHR (0.83) TSHRNAAAHTTPOLBAPEX1
SCHEMBL22554429 0.88 TSHR (0.83) TSHRNAAAHTTPOLBAPEX1
SCHEMBL22023212 0.88 TSHR (0.83) TSHRNAAAHTTPOLBAPEX1

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
US-20050042515-A1 Composition for protecting negative electrode for lithium metal battery, and lithium metal battery fabricated using same SAMSUNG SDI CO., LTD. (KR) 2005-02-24 US claimed
US-20050042515-A1 Composition for protecting negative electrode for lithium metal battery, and lithium metal battery fabricated using same SAMSUNG SDI CO., LTD. (KR) 2005-02-24 US disclosed