SCHEMBL8206682

SCHEMBL8206682

C=C(F)C(=O)OCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ACHE P22303 6/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APP P05067 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 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
SCHEMBL19729195 0.98 TSHR (0.42) TSHRACHEALDH1A1CYP3A4CYP4F2
SCHEMBL5946654 0.91 TSHR (0.39) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL8201795 0.91 TSHR (0.52) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL18712265 0.83 TSHR (0.48) TSHRACHEALDH1A1CYP3A4CYP4F2
SCHEMBL5946541 0.82
SCHEMBL374973 0.82 ACHE (0.48) TSHRACHEALDH1A1CYP3A4CYP4F2
SCHEMBL9418254 0.82 TSHR (0.69) TSHRACHEALDH1A1NAAARAD52
SCHEMBL21413259 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL20657022 0.82 TSHR (0.69) TSHRACHEALDH1A1NAAARAD52
SCHEMBL9418241 0.82 TSHR (0.69) TSHRACHEALDH1A1NAAARAD52

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