SCHEMBL27972017

SCHEMBL27972017

CCCCP(=O)(CCCC)CCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
GABBR2 O75899 1/20 0.39
GABRR1 P24046 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
KDM5A P29375 2/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL8844790 1.00 TSHR (0.48) TSHRCA12CA14HPGDSMN1; SMN2
SCHEMBL8844678 0.92 CA12 (0.47) TSHRCA12CA14CA2CA7
SCHEMBL8844691 0.92 CA12 (0.47) TSHRCA12CA14CA2CA7
SCHEMBL27972036 0.92 TSHR (0.54) TSHRCA12CA14HPGDSMN1; SMN2
SCHEMBL8844757 0.88 TSHR (0.50) TSHRCA12CA14CA2CA7
SCHEMBL27972012 0.88 TSHR (0.50) TSHRCA12CA14CA2CA7
SCHEMBL11811797 0.87 TSHR (0.60) TSHRCA12CA14POLBMEN1
SCHEMBL27918852 0.84 TSHR (0.54) TSHRCA12CA14CA2CA7
SCHEMBL27972194 0.82 CYP1A2 (0.47) TSHRHPGDSMN1; SMN2POLBGABBR2
SCHEMBL2992989 0.81 TSHR (0.52) TSHRCA12CA14CA2CA7

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
CN-108199035-B Lithium secondary battery 麦克赛尔控股株式会社 2021-05-28 CN disclosed
CN-108199035-A Lithium secondary battery 麦克赛尔控股株式会社 2018-06-22 CN disclosed
CN-103975474-A Lithium secondary battery HITACHI MAXELL 2014-08-06 CN disclosed