SCHEMBL9640862

SCHEMBL9640862

C=CCc1ccc(O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
ESR2 Q92731 4/20 0.49
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
TYR P14679 1/20 0.43
CHRNA7 P36544 1/20 0.42
POLB P06746 1/20 0.40
XDH P47989 1/20 0.38
SRD5A1 P18405 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
AKR1B1 P15121 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL69697 0.83 TYR (0.58) GABRA1GABRB2TYRPOLBXDH
SCHEMBL11032193 0.81 TYR (0.44) ESR1ESR2GABRA1GABRB2TYR
SCHEMBL4446113 0.81 GABRA1 (0.50) ESR1ESR2GABRA1GABRB2TYR
SCHEMBL1554674 0.80 CHRNA7 (0.46) ESR1ESR2TYRCHRNA7ALDH1A1
SCHEMBL12833031 0.79 IDO1 (0.48) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL9296359 0.78 GABRA1 (0.47) ESR1ESR2GABRA1GABRB2TYR
SCHEMBL1906438 0.77 TYR (0.50) GABRA1GABRB2TYRPOLBXDH
SCHEMBL5312387 0.77 CHRNA7 (0.44) ESR1ESR2TYRCHRNA7ALDH1A1
SCHEMBL11306662 0.77 TYR (0.48) ESR1ESR2TYRCHRNA7MEN1
SCHEMBL11115074 0.76 GABRA1 (0.46) ESR1ESR2GABRA1GABRB2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394884-B Preparation method of allylphenol compound 暨南大学 2023-06-16 CN claimed
CN-114394884-B Preparation method of allylphenol compound 暨南大学 2023-06-16 CN disclosed
CN-114394884-A Preparation method of allyl phenol compound 暨南大学 2022-04-26 CN disclosed
EP-0357702-B1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 1992-08-12 EP disclosed
CN-1009657-B LIQUID CRYSTAL MATERIALS CONTAINING BIPHENYL ESTERS AND DEVICES USING THEM SECR DEFENCE BRIT (GB) 1990-09-19 CN disclosed
US-4952337-A FERROELECTRIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM, OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-08-28 US disclosed
EP-0210215-B1 FLUORINATED PHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1990-03-14 EP disclosed
EP-0357702-A1 FLUORINATED OLIGOPHENYL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-03-14 EP disclosed
CN-1035107-A FLUORINATED OLIGOPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 1989-08-30 CN disclosed
WO-1989006678-A1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 WO disclosed
US-4769176-A Biphenyl esters and liquid crystal materials and devices containing them THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1988-09-06 US disclosed
EP-0210215-A1 Fluorinated phenyl esters and liquid crystal materials and devices containing them. SECR DEFENCE BRIT (GB) 1987-02-04 EP disclosed
CN-86101044-A Contain the liquid crystal mixed material of biphenyl ester class and the device that uses them 1986-12-17 CN disclosed
WO-1986004327-A1 BIPHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1986-07-31 WO disclosed