SCHEMBL7104710

SCHEMBL7104710

CCCCCC(N1CCOCC1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
KCNA5 P22460 2/20 0.41
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
SCN2A Q99250 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
SCHEMBL9738468 0.98 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL9740019 0.98 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL9738640 0.85 KMT2A (0.39) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL1394560 0.84 OPRM1 (0.40) LMNAOPRM1TSHR
SCHEMBL23381218 0.82 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL19865652 0.82 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL10677620 0.82 KMT2A (0.44) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL24901344 0.82 KCNH2 (0.40) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL18403079 0.82 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL19505906 0.82 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775127-B1 N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS CLOROX CO (US) 2003-09-17 EP disclosed
EP-0968130-A4 N-ALKYL AMMONIUM ACETONITRILE ACTIVATORS IN DENSE GAS CLEANING AND METHOD CLOROX CO (US) 2002-08-14 EP disclosed
US-6017464-A A DIMERIC N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS HAVING SATURATED RINGS THAT INCLUDE QUATERNIZED NITROGEN ATOMS AND TO WHICH CYANO GROUPS ARE BONDED THROUGH A SINGLE CARBON ATOM, AND A SOUCE OF OXYGEN PROVIDES ENHANCED BLEACHING THE CLOROX COMPANY (US) 2000-01-25 US disclosed
EP-0968130-A1 N-ALKYL AMMONIUM ACETONITRILE ACTIVATORS IN DENSE GAS CLEANING AND METHOD The Clorox Company (US) 2000-01-05 EP disclosed
US-5959104-A N-alkyl ammonium acetonitrile bleach activators THE CLOROX COMPANY (US) 1999-09-28 US disclosed
US-5958289-A A QUATERNARY NITROGEN CONTAINING HETEROCYCLIC NITRILE COMPOUND AND A PEROXY COMPOUND THE CLOROX COMPANY (US) 1999-09-28 US disclosed
US-5877315-A Dimeric N-Alkyl ammonium acetonitrile bleach activators THE CLOROX COMPANY (US) 1999-03-02 US disclosed
US-5792218-A N-alkyl ammonium acetonitrile activators in dense gas cleaning and method THE CLOROX COMPANY (US) 1998-08-11 US disclosed
WO-1998023532-A1 N-ALKYL AMMONIUM ACETONITRILE ACTIVATORS IN DENSE GAS CLEANING AND METHOD THE CLOROX COMPANY (US) 1998-06-04 WO disclosed
US-5741437-A SOURCE OF ACTIVE OXYGEN REACTS WITH NITRILE FOR BLEACHING APPLICATIONS THE CLOROX COMPANY (US) 1998-04-21 US disclosed
US-5739327-A OXYGEN BLEACHES OF NITRILE BONDED TO QUATERNARY NITROGEN THE CLOROX COMPANY (US) 1998-04-14 US disclosed
EP-0775127-A1 N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS The Clorox Company (US) 1997-05-28 EP disclosed
WO-1996040661-A1 N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS THE CLOROX COMPANY (US) 1996-12-19 WO disclosed
EP-0415263-B1 Stabilisation of perfluorocarbon emulsions and perfluorinated heterocyclic compounds usable as emulsion stabilising additives KALI CHEMIE AG (DE) 1994-06-15 EP disclosed
US-5120731-A For use as oxygen carriers in blood substitutes KALIE-CHEMIE AG (DE) 1992-06-09 US disclosed
EP-0415263-A2 Stabilisation of perfluorocarbon emulsions and perfluorinated heterocyclic compounds usable as emulsion stabilising additives Kali-Chemie Aktiengesellschaft (DE) 1991-03-06 EP disclosed