SCHEMBL20171716

SCHEMBL20171716

CCCCC(CC)CC(CO)(CO)CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP3A4 P08684 5/20 0.47
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.43
CA2 P00918 4/20 0.40
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20176135 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL30598353 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL28178078 0.79 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL25808332 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL29367516 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL7789775 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1LMNA
SCHEMBL4891792 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2866923 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL28526338 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL250960 0.75 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228879-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-07-11 US disclosed
EP-3924447-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2024-01-24 EP disclosed
WO-2022136231-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2022-06-30 WO disclosed
EP-3521401-B1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3323872-B1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
EP-3521401-A1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA Merck Patent GmbH (DE) 2019-08-07 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed
EP-3323872-A1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2018-05-23 EP disclosed