SCHEMBL7698730

SCHEMBL7698730

CCCCCC[C@@H](C)Oc1ccc(B(O)O)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7698734 1.00 ALDH1A1 (0.43) ALDH1A1HPGDLPLLIPGTRPV1
SCHEMBL7693709 0.84 ALDH1A1 (0.45) ALDH1A1HPGDARMAPT
SCHEMBL7693706 0.84 ALDH1A1 (0.45) ALDH1A1HPGDARMAPT
SCHEMBL7698548 0.81 ALDH1A1 (0.42) ALDH1A1HPGDARMAPT
SCHEMBL7698544 0.81 ALDH1A1 (0.42) ALDH1A1HPGDARMAPT
SCHEMBL7697436 0.80 ALDH1A1 (0.70) ALDH1A1HPGD
SCHEMBL7697438 0.80 ALDH1A1 (0.70) ALDH1A1HPGD
SCHEMBL9649896 0.80 ALDH1A1 (0.56) ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL9650706 0.79 ALDH1A1 (0.68) ALDH1A1HPGD
SCHEMBL9650699 0.79 ALDH1A1 (0.55) ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337420-B1 NON-AROMATIC ESTER; EXHIBITS ONE OR MORE SMECTIC PHASES FOR USE IN ELECTROCLINIC DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND DEFENCE EVALUATION RESEARCH AGENCY (GB) 2002-01-08 US disclosed
US-6278028-B1 FOR ELECTROCLINIC DEVICE THE SECRETARY OF STATE FOR IN DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-08-21 US disclosed
US-6242636-B1 SEMETIC ELECTROCLINIC; LOW VOLTAGE RESULTS IN LARGE INDUCED TILT AND IMPROVED CONTRAST RATIO OR IN PHASE MODULATION; TEMPERATURE INDEPENDENT THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND OF DEFENCE EVALUATION AND RESEARCH AGENCY (GB) 2001-06-05 US disclosed
EP-0738312-B1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES SECR DEFENCE (GB) 2000-04-05 EP disclosed
US-5891358-A ELECTROCLINIC DEVICE COMPRISING TWO SPACED CELL WALLS EACH BEARING ELECTRODE STRUCTURES AND TREATED ON AT LEAST ONE FACING SURFACE WITH AN ALIGNMENT LAYER, A LAYER OF A SMECTIC LIQUID CRYSTAL MATERIAL ENCLOSED BETWEEN THE CELL WALLS SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN & NORTHERN IRELAND OF DEFENCE EVALUATION & RESEARCH AGENCY (GB) 1999-04-06 US disclosed
EP-0738312-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-23 EP disclosed
WO-1995018848-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-07-13 WO disclosed