SCHEMBL29130047

SCHEMBL29130047

[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
ENPP2 Q13822 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30

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
SCHEMBL2863077 1.00 CYP3A4 (0.33) CYP3A4TDP1ALDH1A1CA4CA6
SCHEMBL4817504 0.88 CYP3A4 (0.30) CYP3A4TDP1
SCHEMBL29395660 0.87 ALDH1A1 (0.40) CYP3A4TDP1ALDH1A1CA4CA7
SCHEMBL215323 0.83
SCHEMBL3125569 0.83
Hydrochloric Acid SCHEMBL1498089 0.83 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1CA4CA7
Fluoride Ion SCHEMBL3891341 0.83 ALDH1A1 (0.39) CYP3A4TDP1ALDH1A1CA4CA7
SCHEMBL944607 0.81 CYP3A4 (0.33) CYP3A4TDP1ALDH1A1
SCHEMBL201905 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3292756 0.75 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116963514-A Perovskite solar cell and preparation method thereof 浙江爱旭太阳能科技有限公司 2023-10-27 CN disclosed