SCHEMBL21747579

SCHEMBL21747579

CCC1(COc2c(C)cc(-c3cc(C)c(OCC4(CC)COC4)c(C)c3)cc2C)COC1.CCC1(COc2ccc3ccc(OCC4(CC)COC4)cc3c2)COC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
SYK P43405 1/20 0.31
ALOX5 P09917 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29448188 0.88 TSHR (0.38) TSHRSYKALOX5KDM4EALDH1A1
SCHEMBL36312 0.88 TSHR (0.38) TSHRSYKALOX5KDM4EALDH1A1
SCHEMBL15513310 0.87 TSHR (0.36) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29366776 0.83 AGXT (0.45) TSHRALOX5KDM4ESMN1; SMN2
SCHEMBL1127568 0.83 AGXT (0.45) TSHRALOX5KDM4ESMN1; SMN2
SCHEMBL14091340 0.81 AGXT (0.40) TSHRALOX5KDM4ESMN1; SMN2
SCHEMBL21089716 0.80 TSHR (0.36) TSHRSYKALOX5KDM4EALDH1A1
SCHEMBL14087673 0.79 TSHR (0.38) TSHRSYKALOX5KDM4EALDH1A1
SCHEMBL29366422 0.76 TSHR (0.36) TSHRSYKSMN1; SMN2
SCHEMBL5179285 0.76 TSHR (0.36) TSHRSYKSMN1; SMN2

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
US-11295999-B2 Composition for encapsulating organic electronic element LG CHEM, LTD. (KR) 2022-04-05 US disclosed
US-20200127206-A1 COMPOSITION FOR ENCAPSULATING ORGANIC ELECTRONIC ELEMENT LG CHEM, LTD. (KR) 2020-04-23 US disclosed
EP-3613789-A1 COMPOSITION FOR SEALING ORGANIC ELECTRONIC ELEMENT LG Chem, Ltd. (KR) 2020-02-26 EP disclosed