SCHEMBL382997

SCHEMBL382997

CCC(C)[S+](C)C(C)CC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL1659408 0.72 TSHR (0.38) TSHR
SCHEMBL515547 0.72
SCHEMBL516582 0.67 TSHR (0.33) TSHR
SCHEMBL703269 0.67 TSHR (0.33) TSHR
SCHEMBL25289015 0.62
SCHEMBL647354 0.62
Butane SCHEMBL6244668 0.61
SCHEMBL29743100 0.61
Isobutane SCHEMBL8679752 0.59 TSHR (0.39) TSHR
SCHEMBL1823097 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979361-B1 OXONIUM AND SULFONIUM SALTS MERCK PATENT GMBH (DE) 2010-11-24 EP claimed
US-8148443-B2 Oxonium and sulfonium salts MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-03 US disclosed
US-8101749-B2 Process for the preparation of onium salts with a tetrafluoroborate anion having a reduced halide content MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-24 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
EP-1979361-B1 OXONIUM AND SULFONIUM SALTS MERCK PATENT GMBH (DE) 2010-11-24 EP disclosed
EP-2253638-A2 Fluoralkylfluorophosphate salts Merck Patent GmbH (DE) 2010-11-24 EP disclosed
EP-1831179-B1 METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT MERCK PATENT GMBH (DE) 2010-11-03 EP disclosed
US-20090253912-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH A TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT MERCK PATENT GMBH (DE) 2009-10-08 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
EP-1831179-A1 METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT Merck Patent GmbH (DE) 2007-09-12 EP disclosed
WO-2007087949-A2 OXONIUM AND SULFONIUM SALTS MERCK PATENT GMBH (DE) 2007-08-09 WO disclosed
WO-2006063653-A1 METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 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 (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-20110034698-A1 Oxonium And Sulfonium Salts PRDX2, SCO2, SFXN1 TSHR 2582/4885
US-20090036628-A1 OXONIUM AND SULFONIUM SALTS SCO2, PRDX2, SFXN1 TSHR 2551/4885
US-20090253912-A1 PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH A TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT HCN4, PFAS, NUP205 TSHR 489/4885

“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.