SCHEMBL20965607

SCHEMBL20965607

COc1c(S(=O)(=O)O)ccc(C(=O)OC(=O)c2ccc(S(=O)(=O)O)c(OC)c2F)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
FABP4 P15090 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CDK1 P06493 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
SCHEMBL18762991 0.82 CES2 (0.39) CES2CES1
SCHEMBL18762942 0.81 L3MBTL1 (0.38) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL20965609 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL20965611 0.81 MEN1 (0.33) ALDH1A1KMT2ACES2CES1
SCHEMBL18700993 0.78 TET2 (0.36) ALDH1A1LMNAKMT2AFABP4CES2
SCHEMBL18762906 0.78 CA1 (0.42) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL31107845 0.75 CES2 (0.38) MAPTTUBB1TDP1FABP4CES2
SCHEMBL20965613 0.75 TDP1 (0.33) ALDH1A1TDP1CES2CES1
SCHEMBL18762928 0.74 CES2 (0.30) CES2CES1
SCHEMBL18762959 0.73 CA1 (0.38) CA1CA2CA5ACA9FABP4

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
US-12095037-B2 Non-aqueous electrolyte solution for battery and lithium secondary battery MITSUI CHEMICALS, INC. (JP) 2024-09-17 US disclosed
EP-3951950-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR BATTERIES, AND LITHIUM SECONDARY BATTERY Mitsui Chemicals, Inc. (JP) 2022-02-09 EP disclosed
US-20210296703-A1 NON-AQUEOUS ELECTROLYTE SOLUTION FOR BATTERY AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2021-09-23 US disclosed
EP-3828981-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR BATTERIES AND LITHIUM SECONDARY BATTERY Mitsui Chemicals, Inc. (JP) 2021-06-02 EP disclosed
US-10290900-B2 Non-aqueous electrolytic solution and lithium ion secondary battery comprising same NIPPON SHOKUBAI CO., LTD. (JP) 2019-05-14 US disclosed