SCHEMBL21148677

SCHEMBL21148677

CC1(C)CSCCSCCCSCCSC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27872778 0.81
SCHEMBL5986893 0.77
SCHEMBL8223892 0.74
SCHEMBL13864467 0.73 MAPT (0.30)
SCHEMBL6180707 0.73 NOS1 (0.30)
SCHEMBL12528495 0.73 NOS1 (0.30)
SCHEMBL8080633 0.73 NOS1 (0.30)
SCHEMBL226197 0.73 NOS1 (0.30)
SCHEMBL7643001 0.73 NOS1 (0.30)
SCHEMBL140137 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081728-B2 Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same LG CHEM, LTD. 2021-08-03 US disclosed
US-20200044286-A1 Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same LG CHEM, LTD. (KR) 2020-02-06 US disclosed
EP-3509155-A1 NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE, NON-AQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY, COMPRISING NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE LG Chem, Ltd. (KR) 2019-07-10 EP 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 (2 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-20200044286-A1 Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same VDAC2, VDAC3, CACNA1F ALDH1A1 2680/4885
US-11081728-B2 Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same VDAC2, VDAC3, CACNA1F ALDH1A1 2680/4885

“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.