SCHEMBL8422899

SCHEMBL8422899

FC(F)(F)c1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.62
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KIF11 P52732 6/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
MGLL Q99685 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
EPHX2 P34913 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
PLAU P00749 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL8765728 0.89 PDE2A (0.52) PDE2AALDH1A1TSHRKIF11CES2
SCHEMBL63468 0.78 ALDH1A1 (0.67) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL1970199 0.78 PDE2A (0.52) PDE2ASCN5A
SCHEMBL16868077 0.77 PDE2A (1.00) PDE2A
SCHEMBL16161045 0.76 PDE2A (0.60) PDE2ATSHRSCN5A
SCHEMBL12946278 0.76 PDE2A (0.67) PDE2AALDH1A1TSHRKIF11
SCHEMBL16626096 0.75 PDE2A (0.48) PDE2AALDH1A1TSHRKIF11TRPV6
Hydrochloric Acid SCHEMBL18247968 0.75 PDE2A (0.95) PDE2A
SCHEMBL25803804 0.74 PDE2A (0.47) PDE2AKIF11SCN5A
Iodide SCHEMBL29093539 0.72 ALDH1A1 (0.59) ALDH1A1TSHRKIF11CES2CES1

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
CN-116940551-A Method for producing aryl compound containing pentafluorothio group AGC株式会社 2023-10-24 CN disclosed
CN-1084733-C The Preparation of fluorinated organic compounds F2 CHEMICAL CO LTD (GB) 2002-05-15 CN disclosed
EP-0784614-B1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-10-06 EP disclosed
US-5741935-A Preparation of organic pentafluorosulphur compounds BRITISH NUCLEAR FUELS PLC (GB) 1998-04-21 US disclosed
CN-1165512-A Process for preparing fluorinated organic compounds BRITISH NUCLEAR FUELS PLC (GB) 1997-11-19 CN disclosed
EP-0784614-A1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS British Nuclear Fuels PLC (GB) 1997-07-23 EP disclosed
WO-1997005106-A1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS BRITISH NUCLEAR FUELS PLC (GB) 1997-02-13 WO disclosed