SCHEMBL16616351

SCHEMBL16616351

O=C(O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)O.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL54422 0.97 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28383554 0.94 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL16014117 0.94 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31386574 0.94 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31441237 0.94 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ACYP1A2
Benzene SCHEMBL10558251 0.88 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL29599456 0.88 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL70004 0.88 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31436571 0.86 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL21173958 0.86 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024087029-A1 PREPARATION METHOD FOR NAPHTHYL ORGANIC COMPOSITE ELECTRODE OF METAL ION BATTERY AND USE THEREOF 中国科学院深圳先进技术研究院 2024-05-02 WO disclosed
US-9923203-B2 Positive electrode active material, nonaqueous electrolyte battery, and battery pack KABUSHIKI KAISHA TOSHIBA (JP) 2018-03-20 US disclosed
US-20150099176-A1 POSITIVE ELECTRODE ACTIVE MATERIAL, NONAQUEOUS ELECTROLYTE BATTERY, AND BATTERY PACK KABUSHIKI KAISHA TOSHIBA (JP) 2015-04-09 US disclosed
US-20150099159-A1 POSITIVE ELECTRODE ACTIVE MATERIAL, NONAQUEOUS ELECTROLYTE BATTERY, AND BATTERY PACK KABUSHIKI KAISHA TOSHIBA (JP) 2015-04-09 US disclosed