Cetrimonium

Cetrimonium

SCHEMBL196676

CCCCCCCCCCCCCCCC[N+](C)(C)C.O=C1NS(=O)(=O)c2ccccc21

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA9 Q16790 5/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
BCHE P06276 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
KMT2A Q03164 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
ALDH1A1 P00352 2/20 0.45
DNM1 Q05193 7/20 0.41
APAF1 O14727 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39

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
Saccharin SCHEMBL196947 1.00 CA12 (0.59) CA12CA9CA1CA2KDM4E
Cetrimonium SCHEMBL28101522 0.99 CA12 (0.58) CA12CA9CA1CA2KDM4E
Cetrimonium SCHEMBL28582109 0.99 CA12 (0.58) CA12CA9CA1CA2KDM4E
Didecyldimethylammonium SCHEMBL28160713 0.92 KMT2A (0.59) CA12CA9CA1CA2KDM4E
Tetrabuthylammonium SCHEMBL27547504 0.87 CA12 (0.65) CA12CA9CA1CA2KDM4E
Cetalkonium SCHEMBL28274356 0.85 DNM1 (0.60) CA12CA9CA1CA2KDM4E
Miristalkonium Ion SCHEMBL27923387 0.85 DNM1 (0.60) CA12CA9CA1CA2KDM4E
Saccharin SCHEMBL27971089 0.82 CA12 (0.65) CA12CA9CA1CA2KDM4E
Myristic Acid SCHEMBL28407758 0.81 KMT2A (0.59) CA12CA9CA1CA2KDM4E
Dodecanoate SCHEMBL27283515 0.81 KMT2A (0.59) CA12CA9CA1CA2KDM4E

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 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024075678-A1 METHOD FOR PRODUCING BIO-DERIVED BRANCHED ALKYL GLYCERYL ETHER, AND BIO-DERIVED BRANCHED ALKYL GLYCERYL ETHER PRODUCED BY SAID METHOD 株式会社ADEKA 2024-04-11 WO disclosed
US-20240099955-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF HTL BIOTECHNOLOGY INNOVATION INC. 2024-03-28 US disclosed
CN-112770721-B Hair dye composition 朋友株式会社 2024-01-05 CN disclosed
EP-4288084-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF Modern Meadow, Inc. (US) 2023-12-13 EP disclosed
WO-2023234325-A1 AIR OXIDATION HAIR DYE ホーユー株式会社 2023-12-07 WO disclosed
CN-117100624-A Hair dye composition 朋友株式会社 2023-11-24 CN disclosed
CN-116847871-A Skin care compositions and methods of use 现代牧场股份有限公司 2023-10-03 CN disclosed
WO-2023145518-A1 COPOLYMER AND COSMETIC COMPOSITION CONTAINING SAID COPOLYMER 株式会社ADEKA 2023-08-03 WO disclosed
CN-115990116-A Oxidative hair dye composition 朋友株式会社 2023-04-21 CN disclosed
CN-109195573-B Oxidation hair dye composition 朋友株式会社 2022-12-13 CN disclosed
US-5776438-A MIXTURE OF TOCOPHEROL-2-ASCORBIC ACIDPHOSPHORIC ACID DIESTERSAND AN ULTRAVIOLET RADIATION ABSORBER SHISEIDO CO., LTD. (JP) 1998-07-07 US disclosed
EP-0561195-B1 An invigorating herbal gel for supple skin SHISEIDO CO LTD (JP) 1996-05-01 EP disclosed
US-5478560-A Containing salt of L-arginine-L-aspartic acid; moisturizer SHISEIDO COMPANY LTD. (JP) 1995-12-26 US disclosed
EP-0506961-B1 EXTERNAL PREPARATION FOR SKIN SHISEIDO CO LTD (JP) 1995-12-20 EP disclosed
US-5415875-A Applying hydrolyzed shell membrane and tocopherol derivative; aging and oxidation resistance SHISEIDO CO., LTD. (JP) 1995-05-16 US disclosed
US-5407677-A Containing fennel extract, inositol, dextran sulfate SHISEIDO CO., LTD. (JP) 1995-04-18 US disclosed
EP-0506956-B1 EXTERNAL PREPARATION FOR SKIN SHISEIDO CO LTD (JP) 1995-02-22 EP disclosed
EP-0601698-A1 Topical composition comprising tocopherol SHISEIDO COMPANY LIMITED (JP) 1994-06-15 EP disclosed
EP-0506956-A1 EXTERNAL PREPARATION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 1992-10-07 EP disclosed
EP-0506961-A1 EXTERNAL PREPARATION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 1992-10-07 EP disclosed