SCHEMBL8847161

SCHEMBL8847161

O=C(O)c1[nH]c(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 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
SCHEMBL28590481 0.76 ALDH1A1 (0.64) CYP1A2CYP2C9ALDH1A1LMNAKDM4E
SCHEMBL10962665 0.73 JAK2 (0.59) JAK2THRBALDH1A1LMNAKDM4E
SCHEMBL13245759 0.73 ALDH1A1 (0.48) THRBCYP1A2CYP2C9ALDH1A1NOTUM
SCHEMBL3308893 0.73 GPR35 (0.37) JAK2THRBCYP1A2CYP2C9GPR35
SCHEMBL31495905 0.71 GPR35 (0.45) JAK2THRBCYP1A2CYP2C9ALDH1A1
Mellitic Acid SCHEMBL23507 0.69 CYP1A2 (0.50) CYP1A2ALDH1A1CA12CA1CA2
Mellitic Acid SCHEMBL22971 0.69 CYP1A2 (0.50) CYP1A2ALDH1A1CA12CA1CA2
SCHEMBL5513393 0.68 ALDH1A1 (0.63) CYP1A2ALDH1A1NOTUMLMNAKDM4E
SCHEMBL22783664 0.67 JAK2 (0.61) JAK2THRBALDH1A1LMNAKDM4E
SCHEMBL2806470 0.67 JAK2 (0.48) JAK2THRBCYP1A2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114614002-B Preparation method of composite negative electrode material based on potassium salt of polycarboxylic acid graphite and application of potassium ion battery 深圳先进技术研究院 2024-04-19 CN disclosed
WO-2022120592-A1 PREPARATION OF NEGATIVE ELECTRODE MATERIAL BASE ON POTASSIUM POLYCARBOXYLATE AND GRAPHITE COMPOSITE AND USE OF POTASSIUM ION BATTERY 深圳先进技术研究院 2022-06-16 WO disclosed
CN-114614002-A Preparation method of graphite composite negative electrode material based on polycarboxylic acid sylvite and application of graphite composite negative electrode material to potassium ion battery 深圳先进技术研究院 2022-06-10 CN disclosed
CN-107434830-B Wide-distribution polypropylene catalyst component, preparation method and catalyst thereof 中国石油天然气股份有限公司 2020-02-14 CN disclosed
CN-107434830-A Wide-distribution polypropylene catalyst component, preparation method and catalyst thereof 中国石油天然气股份有限公司 2017-12-05 CN disclosed
EP-0603557-B1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM CO (US) 1997-07-30 EP disclosed
US-5461126-A Process of polymerizing olefins using organonickel catalyst compositions PHILLIPS PETROLEUM COMPANY (US) 1995-10-24 US disclosed
US-5332708-A Ethylene polymerization catalyst, organonickel compound and a heterocyclic nitrogen compound PHILLIPS PETROLEUM COMPANY (US) 1994-07-26 US disclosed
EP-0603557-A1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM COMPANY (US) 1994-06-29 EP disclosed