SCHEMBL8201795

SCHEMBL8201795

C=C(F)C(=O)OCCCCCOC(=O)C(=C)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
NAAA Q02083 1/20 0.37
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.34
THRB P10828 1/20 0.34
ACHE P22303 6/20 0.33
HCAR2 Q8TDS4 1/20 0.31
HPGD P15428 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
SCHEMBL8206682 0.91 TSHR (0.46) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL9418256 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL20657022 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL31533758 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL9418241 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL1322024 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL9418254 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL21413259 0.89 TSHR (0.44) TSHRALDH1A1CYP3A4TDP1POLB
SCHEMBL11938098 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL29244038 0.89 TSHR (0.69) TSHRALDH1A1NAAARAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633618-B1 LITHIUM SECONDARY CELL TDK CORP (JP) 2000-03-22 EP disclosed
EP-0662728-B1 Lithium secondary cell TDK CORP (JP) 1998-04-29 EP disclosed
US-5589297-A POWER SUPPLIES FOR DRIVING PORTABLE ELECTRONIC APPLIANCES TDK CORPORATION (JP) 1996-12-31 US disclosed
US-5565284-A STABILITY DURING CHARGING, DISCHARGING CYCLES TDK CORPORATION (JP) 1996-10-15 US disclosed
EP-0662728-A1 Lithium secondary cell TDK Corporation (JP) 1995-07-12 EP disclosed
EP-0633618-A1 LITHIUM SECONDARY CELL TDK Corporation (JP) 1995-01-11 EP disclosed