SCHEMBL1718293

SCHEMBL1718293

CCC[N+]1(CC)CCOCC1.F[B-](F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.40

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
SCHEMBL2100281 0.91 CTDSP1 (0.44) CTDSP1
Iodide SCHEMBL9179010 0.89 CTDSP1 (0.46) CTDSP1
Bromide SCHEMBL28941734 0.89 CTDSP1 (0.42) CTDSP1
SCHEMBL17581624 0.82 CTDSP1 (0.32) CTDSP1
SCHEMBL9935984 0.82 CTDSP1 (0.35) CTDSP1
SCHEMBL3277115 0.82 CTDSP1 (0.46) CTDSP1
SCHEMBL17581651 0.81 CTDSP1 (0.31) CTDSP1
SCHEMBL15212453 0.81 CTDSP1 (0.39) CTDSP1
SCHEMBL17581618 0.81 CTDSP1 (0.31) CTDSP1
SCHEMBL1719588 0.80 NPC1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172463-B1 Quaternary ammonium salt, electrolytic solution and electrochemical device OTSUKA CHEMICAL CO LTD (JP) 2015-06-17 EP disclosed
US-8747690-B2 Quaternary ammonium salt and composition, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-8366956-B2 Quaternary ammonium salt and composition, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20130004860-A1 QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE STELLA CHEMIFA CORPORATION (JP) 2013-01-03 US disclosed
EP-1642894-B1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL CO LTD (JP) 2012-01-18 EP disclosed
US-20110123873-A1 Quaternary ammonium salt and composition, and electrochemical device STELLA CHEMIFA CORPORATION (JP) 2011-05-26 US disclosed
US-7834197-B2 Quaternary ammonium salt, electrolyte, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-2172463-A1 Quaternary ammonium salt, electrolytic solution and electrochemical device Otsuka Chemical Co., Ltd. (JP) 2010-04-07 EP disclosed
US-20070042271-A1 Quaternary ammonium salt, electrolyte, and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1642894-A1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2006-04-05 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 (3 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-20110123873-A1 Quaternary ammonium salt and composition, and electrochemical device DNMT3A, AFF4, AFF2 CTDSP1 835/4885
US-20070042271-A1 Quaternary ammonium salt, electrolyte, and electrochemical device DNMT3A, NHERF1, SLC9A1 CTDSP1 857/4885
US-20130004860-A1 QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE DNMT3A, AFF4, AFF2 CTDSP1 835/4885

“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.