Trimethylammonium

Trimethylammonium

SCHEMBL866268

C=C(C)C(=O)NCCC.CN(C)C.COS(=O)(=O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Trimethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
Trimethylammonium SCHEMBL148949 1.00 NPC1 (0.35) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL16114711 0.95 EPHX1 (0.36) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL1707073 0.91 ACHE (0.41) EPHX1CA12CA14
Trimethylammonium SCHEMBL3681377 0.87 TGFBR1 (0.36) ALDH1A1TGFBR1
Trimethylammonium SCHEMBL5454852 0.87 TGFBR1 (0.36) ALDH1A1TGFBR1
Trimethylammonium SCHEMBL21743 0.86 NPC1 (0.42) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL15846659 0.85 ACHE (0.44) EPHX1CA12CA14
Trimethylammonium SCHEMBL3277856 0.85 NPC1 (0.37) NPC1GAAMAPTRAB9ASMN1; SMN2
Sulfuric Acid SCHEMBL11210945 0.84 EPHX1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL635942 0.84 NPC1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791058-B2 Composition for household care containing a cationic nanogel RHODIA OPERATIONS (FR) 2014-07-29 US claimed
EP-2346974-B1 COMPOSITION FOR HOUSEHOLD CARE CONTAINING A CATIONIC NANOGEL RHODIA OPERATIONS (FR) 2014-06-04 EP claimed
EP-2160416-B1 POLYMERIC MICROGEL COMPRISING CATIONIC UNITS RHODIA OPERATIONS (FR) 2013-05-01 EP claimed
US-20110271460-A1 COMPOSITION FOR HOUSEHOLD CARE CONTAINING A CATIONIC NANOGEL RHODIA OPERATIONS (FR) 2011-11-10 US claimed
CN-113163757-B Use of guar derivatives in biofungicide compositions 罗地亚经营管理公司 2024-02-13 CN disclosed
CN-117440795-A Rinse-free personal care compositions 宝洁公司 2024-01-23 CN disclosed
CN-117202888-A Multiphase liquid compositions with improved deposition of active ingredients 法国特种经营公司 2023-12-08 CN disclosed
CN-117202887-A Compositions comprising a multi-tail surfactant and a cationic polymer and uses thereof 法国特种经营公司 2023-12-08 CN disclosed
CN-116322631-A Low surfactant cosmetic composition comprising cationic polymer 宝洁公司 2023-06-23 CN disclosed
CN-116322630-A Surfactant-free cosmetic composition comprising cationic polymer 宝洁公司 2023-06-23 CN disclosed
EP-2861706-B1 FABRIC CONDITIONING COMPOSITION AND USE THEREOF RHODIA OPERATIONS (FR) 2017-12-06 EP disclosed
US-20150197708-A1 Fabric Conditioning Composition And Use Thereof RHODIA OPERATIONS (FR) 2015-07-16 US disclosed
US-6235835-B1 STARCH IS MODIFIED WITH AT LEAST ONE CATIONIC POLYMER BASF AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
WO-2000060167-A1 MODIFYING STARCH WITH CATIONIC POLYMERS AND USE OF THE MODIFIED STARCHES AS DRY-STRENGTH AGENT BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
EP-0972110-A1 METHOD FOR PRODUCING HIGH DRY-STRENGTH PAPER, PULPBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
US-5851300-A Cationic modification of starch and use of the cationically modified starch BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
WO-1998045536-A1 METHOD FOR PRODUCING HIGH DRY-STRENGTH PAPER, PULPBOARD AND CARDBOARD BASF AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
EP-0788516-B1 CATIONIC MODIFICATION PROCESS FOR STARCH AND USE OF CATIONICALLY MODIFIED STARCH BASF AG (DE) 1998-07-29 EP disclosed
EP-0788516-A1 CATIONIC MODIFICATION PROCESS FOR STARCH AND USE OF CATIONICALLY MODIFIED STARCH BASF AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed
WO-1996013525-A1 CATIONIC MODIFICATION PROCESS FOR STARCH AND USE OF CATIONICALLY MODIFIED STARCH BASF AKTIENGESELLSCHAFT (DE) 1996-05-09 WO disclosed