SCHEMBL3448803

SCHEMBL3448803

CCCC[N+]1(COCCC)CCCC1.O=[N+]([O-])[O-]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL3447738 0.90
SCHEMBL2903615 0.90
SCHEMBL3447932 0.89 ALDH1A1 (0.31) ALDH1A1
Nitrous Acid SCHEMBL3446898 0.87
SCHEMBL3448373 0.85
SCHEMBL3447736 0.84
SCHEMBL3447304 0.83 ALDH1A1 (0.32) ALDH1A1
Trifluoroacetic Acid SCHEMBL907487 0.81 CES2 (0.36)
SCHEMBL3448708 0.79
SCHEMBL3448903 0.79

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-7854854-B2 Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100038578-A1 Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device ALLY BANK, AS AGENT 2010-02-18 US disclosed
EP-1840124-A1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE Otsuka Chemical Co., Ltd. (JP) 2007-10-03 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 (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-20100038578-A1 Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device SCN1B, SCN1A, SCN11A ALDH1A1 1604/4885

“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.