SCHEMBL1185245

SCHEMBL1185245

CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.CC[O+](CC)CC.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9720687 0.77
SCHEMBL993000 0.71
SCHEMBL3628017 0.71
SCHEMBL15212489 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL15212373 0.71 TSHR (0.30) ALDH1A1
SCHEMBL15212529 0.71 ALDH1A1 (0.30) ALDH1A1
Tetrylammonium SCHEMBL1996794 0.71 TSHR (0.47) ALDH1A1
SCHEMBL25345297 0.69 CA1 (0.31)
SCHEMBL16758707 0.69 CA1 (0.42)
Lithium Ion SCHEMBL1997803 0.69 CA1 (0.31)

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-8148443-B2 Oxonium and sulfonium salts MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-03 US disclosed
US-20110034698-A1 Oxonium And Sulfonium Salts IGNATYEV NIKOLAI MYKOLA 2011-02-10 US disclosed
US-7842804-B2 Ionic salts comprising pyrrolidinium, triazolinium, piperidinium or morpholinium cations and alkyltrifluorophosphate anions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-30 US disclosed
US-20090036628-A1 OXONIUM AND SULFONIUM SALTS MERCK PATENT GESELLSCHAFT (DE) 2009-02-05 US disclosed
EP-1979361-A2 OXONIUM AND SULFONIUM SALTS Merck Patent GmbH (DE) 2008-10-15 EP disclosed
WO-2007087949-A2 OXONIUM AND SULFONIUM SALTS MERCK PATENT GMBH (DE) 2007-08-09 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 (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-20110034698-A1 Oxonium And Sulfonium Salts PRDX2, SCO2, SFXN1 ALDH1A1 4525/4885
US-20090036628-A1 OXONIUM AND SULFONIUM SALTS SCO2, PRDX2, SFXN1 ALDH1A1 4520/4885

“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.