SCHEMBL1243166

SCHEMBL1243166

O=C(OBc1c(F)ccc(F)c1F)C(=O)OBc1c(F)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 6/20 0.39
▸ CES1 P23141 6/20 0.39
▸ BCHE P06276 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL1240222 0.68 CES2 (0.44) CES2CES1
SCHEMBL29085597 0.66 CES2 (0.35) CES2CES1
SCHEMBL30593728 0.66 CES2 (0.35) CES2CES1
SCHEMBL3518044 0.60 CA12 (0.48) CES2CES1
SCHEMBL382348 0.60 CES2 (0.61) CES2CES1
SCHEMBL45430 0.58 CES2 (0.53) CES2CES1BCHEEPHX2
SCHEMBL30954397 0.58 CES2 (0.67) CES2CES1BCHEEPHX2
SCHEMBL1345183 0.58 CES2 (0.67) CES2CES1BCHEEPHX2
SCHEMBL30954390 0.58 CES2 (0.48) CES2CES1BCHE
Oxalic Acid SCHEMBL28378762 0.58 CES2 (0.54) CES2CES1BCHEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170365855-A1 LITHIUM BATTERY SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-21 — — US claimed
US-20120183866-A1 Fluorinated Arylboron Oxalate as Anion Receptors and Additives for Non-Aqueous Battery Electrolytes Brookhaven Science Associates ,LLC (US) 2012-07-19 — — US claimed
WO-2011014451-A2 FLUORINATED ARYLBORON OXALATE AS ANION RECEPTORS AND ADDITIVES FOR NON-AQUEOUS BATTERY ELECTROLYTES BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2011-02-03 — — WO claimed
US-20170365855-A1 LITHIUM BATTERY SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-21 — — US disclosed
US-20120183866-A1 Fluorinated Arylboron Oxalate as Anion Receptors and Additives for Non-Aqueous Battery Electrolytes Brookhaven Science Associates ,LLC (US) 2012-07-19 — — US disclosed
WO-2011014451-A2 FLUORINATED ARYLBORON OXALATE AS ANION RECEPTORS AND ADDITIVES FOR NON-AQUEOUS BATTERY ELECTROLYTES BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2011-02-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120183866-A1 Fluorinated Arylboron Oxalate as Anion Receptors and Additives for Non-Aqueous Battery Electrolytes SLCO2B1, SLCO1B1, SLCO4C1 CES2 2634/4885CES1 3715/4885BCHE 2592/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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