SCHEMBL20121313

SCHEMBL20121313

C/C=C/COc1ccc(C)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL14211799 1.00 AKR1C3 (0.32) AKR1C3MRGPRX4
SCHEMBL26769698 0.85 L3MBTL1 (0.37) AKR1C3
SCHEMBL19442881 0.85 AKR1C3 (0.30) AKR1C3
SCHEMBL26796924 0.84 CTSL (0.31) MRGPRX4
SCHEMBL14211802 0.84 CTSL (0.31) MRGPRX4
SCHEMBL12835615 0.81 ALDH1A1 (0.36) AKR1C3
SCHEMBL26769721 0.81 MAPT (0.41) AKR1C3
SCHEMBL1512543 0.81 ALDH1A1 (0.36) AKR1C3
SCHEMBL12172449 0.80 HTR2C (0.44)
SCHEMBL17770801 0.80

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-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-9963637-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2018-05-08 US disclosed