SCHEMBL9493977

SCHEMBL9493977

CCCCCc1ccc(-c2ccc(B(O)O)cc2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.62
LIPG Q9Y5X9 8/20 0.62
TRPV1 Q8NER1 1/20 0.60
MGLL Q99685 1/20 0.60
RARB P10826 6/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
GPR3 P46089 1/20 0.39

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
SCHEMBL6557463 0.92 LPL (0.62) LPLLIPGTRPV1MGLLRARB
SCHEMBL4189304 0.87 CA1 (0.61) LPLLIPGTRPV1MGLLRARB
SCHEMBL9398982 0.87 RARB (0.68) LPLLIPGRARBRARARARG
SCHEMBL10976338 0.85 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10975095 0.85 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10975125 0.85 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10977018 0.85 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10981036 0.85 RARB (0.66) RARBRARARARGGPR3
SCHEMBL10981922 0.85 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10979477 0.85 RARB (0.70) LPLLIPGRARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO disclosed