SCHEMBL8004017

SCHEMBL8004017

IC(I)(I)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
TSHR P16473 1/20 0.47
CA4 P22748 1/20 0.43
KCNA3 P22001 1/20 0.39
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
NR1H2 P55055 1/20 0.36
BAX Q07812 1/20 0.36
MAOA P21397 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
CA9 Q16790 1/20 0.35
SRC P12931 1/20 0.35
APP P05067 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL24482436 0.80 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL24080483 0.80 CA4 (0.43) LTA4HTSHRCA4KCNA3NR1H2
SCHEMBL7089314 0.78 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL15153656 0.76 TSHR (0.38) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL465075 0.75 LTA4H (0.47) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL9343768 0.73 TSHR (0.35) LTA4HTSHRCA4KCNA3ALDH1A1
SCHEMBL23526581 0.73 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL23279628 0.73 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL18644835 0.73 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL16663875 0.73 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115064769-B Electrolyte compatible with graphite cathode and application thereof 华中科技大学 2022-11-08 CN claimed
CN-115064769-A Electrolyte compatible with graphite cathode and application thereof 华中科技大学 2022-09-16 CN claimed
CN-115064769-B Electrolyte compatible with graphite cathode and application thereof 华中科技大学 2022-11-08 CN disclosed
CN-115064769-A Electrolyte compatible with graphite cathode and application thereof 华中科技大学 2022-09-16 CN disclosed
WO-2000021577-A2 COMPOSITIONS NYCOMED IMAGING AS (NO) 2000-04-20 WO disclosed