SCHEMBL9547733

SCHEMBL9547733

CCC[S+]([O-])C(CC)CCN

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9547729 1.00
SCHEMBL9561528 1.00
SCHEMBL10381197 0.73
SCHEMBL10381198 0.73
SCHEMBL20780468 0.68
SCHEMBL9547838 0.67
SCHEMBL19711807 0.65
SCHEMBL29059069 0.65 TSHR (0.33)
SCHEMBL11447682 0.64 LMNA (0.41)
SCHEMBL10492406 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404748-B1 NOVEL STEREOISOMERS AKTIEBOLAGET HÄSSLE (SE) 1993-04-28 EP disclosed
EP-0404747-B1 NOVEL POLYSTYRENESULFONATE AKTIEBOLAGET HÄSSLE (SE) 1993-04-21 EP disclosed
EP-0322390-B1 NOVEL ANTIARRHYTHMIC AGENTS I Aktiebolaget Hässle (SE) 1992-11-11 EP disclosed
US-5155133-A Antiarrhythmic compounds and pharmaceutical compositions and methods thereof AKTIEBOLAGET HASSLE (SE) 1992-10-13 US disclosed
US-5149523-A Antiarrhythmia agents AKTIEBOLAGET HASSLE (SE) 1992-09-22 US disclosed
US-5068272-A NOVEL POLYSTYRENESULFONATE, USEFUL AGAINST CARDIAC ARRHYTHMIAS AKTIEBOLAGET HASSLE (SE) 1991-11-26 US disclosed
US-5055490-A STEREOISOMERS OF BENZONITRILE DERIVATIVES, USEFUL AS CARDIAC ARRHYTHMIAC AGENTS AKTIEBOLAGET HASSLE (SE) 1991-10-08 US disclosed
WO-1990015794-A1 NOVEL STEREOISOMERS Aktiebolaget Hässle (SE) 1990-12-27 WO disclosed
EP-0404747-A1 Novel polystyrenesulfonate AKTIEBOLAGET HÄSSLE (SE) 1990-12-27 EP disclosed
EP-0404748-A1 Novel stereoisomers AKTIEBOLAGET HÄSSLE (SE) 1990-12-27 EP disclosed
WO-1989005794-A1 NOVEL ANTIARRHYTHMIC AGENTS I Aktiebolaget Hässle (SE) 1989-06-29 WO disclosed
EP-0322390-A2 Novel antiarrhythmic agents I Aktiebolaget Hässle (SE) 1989-06-28 EP disclosed