Cetrimonium

Cetrimonium

SCHEMBL28074585

CCCCCCCCCCCCCCCC[N+](C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.56
APAF1 O14727 1/20 0.52
HSP90AA1 P07900 1/20 0.52
RAD52 P43351 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 4/20 0.49
HRH3 Q9Y5N1 2/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL4351872 1.00 DNM1 (0.56) DNM1APAF1HSP90AA1RAD52MEN1
Cetrimonium SCHEMBL28222833 0.98 DNM1 (0.54) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL15537851 0.89 DNM1 (0.51) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL15538699 0.89 SLC22A1 (0.52) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4934599 0.89 SLC22A1 (0.52) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8571872 0.89 SLC22A1 (0.52) DNM1MEN1KMT2ASMN1; SMN2MAPK1
Tetrahexylammonium SCHEMBL3051566 0.89 SLC22A1 (0.52) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL15538817 0.89 SLC22A1 (0.52) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1520532 0.89 SLC22A1 (0.52) DNM1MEN1KMT2ASMN1; SMN2MAPK1
Tetrapentylammonium SCHEMBL8610604 0.86 SLC22A1 (0.50) DNM1MEN1KMT2ASMN1; SMN2MAPK1

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
CN-113166384-A Polyester carbonates made from cycloaliphatic diacids and aliphatic diols and methods for making the same 科思创知识产权两合公司 2021-07-23 CN claimed
CN-114829451-B Process for preparing polyester carbonates 科思创德国股份有限公司 2024-08-16 CN disclosed
CN-114829451-A Method for producing polyester carbonates 科思创知识产权两合公司 2022-07-29 CN disclosed
CN-114599706-A Method for producing polyester carbonates 科思创知识产权两合公司 2022-06-07 CN disclosed
CN-113166384-A Polyester carbonates made from cycloaliphatic diacids and aliphatic diols and methods for making the same 科思创知识产权两合公司 2021-07-23 CN disclosed
CN-112638860-A Process for preparing cycloaliphatic diesters 科思创知识产权两合公司 2021-04-09 CN disclosed
CN-112334509-A Transesterification process for the simultaneous production of at least two different types of polycarbonate in a production plant 科思创知识产权两合公司 2021-02-05 CN disclosed
CN-105829396-B Preparation of siloxane-containing block copolycarbonates by reactive extrusion 科思创德国股份有限公司 2019-12-20 CN disclosed
CN-105637012-B Polysiloxane-polycarbonate block cocondensation 科思创德国股份有限公司 2019-03-08 CN disclosed
CN-105637012-A Polysiloxane-polycarbonate block cocondensates COVESTRO DEUTSCHLAND AG 2016-06-01 CN disclosed