SCHEMBL31448639

SCHEMBL31448639

O=C(c1ccccc1)c1c(O)ccc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
CTSB P07858 1/20 0.50
VCAM1 P19320 1/20 0.49
GPR35 Q9HC97 3/20 0.48
ALKBH5 Q6P6C2 1/20 0.47
FTO Q9C0B1 1/20 0.47
DBH P09172 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TTR P02766 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL31448571 1.00 MAPK1 (0.53) MAPK1CTSBVCAM1GPR35ALKBH5
SCHEMBL31514657 0.88 GPR35 (0.52) MAPK1CTSBGPR35ALKBH5FTO
SCHEMBL6356761 0.82 CA1 (0.51) MAPK1CTSBGPR35ALKBH5FTO
SCHEMBL30487560 0.82 CA1 (0.51) MAPK1CTSBGPR35ALKBH5FTO
SCHEMBL4691688 0.81 GPR35 (0.53) MAPK1VCAM1GPR35DBHALDH1A1
SCHEMBL9735145 0.80 MAPK1 (0.49) MAPK1VCAM1GPR35DBHFNTA
SCHEMBL11761953 0.78 ALOX5 (0.49) CTSBGPR35CRHBPCRHR2MAPT
SCHEMBL29493114 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1LMNATSHR
SCHEMBL2517850 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1LMNATSHR
SCHEMBL21629143 0.78 CES2 (0.54) MAPK1VCAM1GPR35CRHBPCRHR2

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-2025092541-A1 LITHIUM EXTRACTION RESIN STRUCTURE, PREPARATION, AND USE 北京索特莱克科技发展有限公司 2025-05-08 WO claimed
CN-119912618-A Structure, preparation and application of lithium extraction resin 北京索特莱克科技发展有限公司 2025-05-02 CN claimed
WO-2025092541-A1 LITHIUM EXTRACTION RESIN STRUCTURE, PREPARATION, AND USE 北京索特莱克科技发展有限公司 2025-05-08 WO disclosed
CN-119912618-A Structure, preparation and application of lithium extraction resin 北京索特莱克科技发展有限公司 2025-05-02 CN disclosed