Choline

Choline

SCHEMBL9118969

C[N+](C)(C)CCO.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
PSIP1 O75475 1/20 0.41
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 2/20 0.37
HTR6 P50406 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11606936 0.91 LMNA (0.41) LMNACYP3A4PSIP1CYP2D6MAPK1
SCHEMBL28010748 0.87 TSHR (0.40) KMT2APSIP1TSHRSMN1; SMN2HSD11B1
Choline SCHEMBL506429 0.85 CYP3A4 (0.46) LMNACYP3A4MEN1KMT2ASLC5A7
SCHEMBL11609994 0.84 CHRM2 (0.41) LMNACYP3A4PSIP1CYP2D6MAPK1
Choline SCHEMBL28623707 0.84 CYP3A4 (0.46) LMNACYP3A4MEN1KMT2ASLC5A7
Choline SCHEMBL11607099 0.83 TSHR (0.61) LMNACYP3A4MEN1KMT2ASLC5A7
Choline SCHEMBL28992902 0.82 CYP3A4 (0.45) LMNACYP3A4MEN1KMT2ASLC5A7
Choline SCHEMBL5810954 0.82 LMNA (0.40) LMNACYP3A4MEN1KMT2ASLC5A7
Ethylene Glycol SCHEMBL28496865 0.82 SMN1; SMN2 (0.46) LMNAKMT2APSIP1MAPK1TSHR
Tetramethylammonium Ion SCHEMBL240527 0.82 HTR6 (0.48) LMNACYP3A4MEN1KMT2APSIP1

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
CN-119896763-A Pasty biological tissue adhesive capable of being coated and preparation method and application thereof 哈尔滨工业大学 2025-04-29 CN claimed
CN-117069901-A Lignin-based phenolic resin and preparation method thereof 江苏理文造纸有限公司 2023-11-17 CN claimed
WO-1995029923-A1 PROCESS FOR THE PREPARATION OF MONO- AND BIS(PHOSPHOCHOLINE) DERIVATIVES WHICH HAVE ANTIFUNGAL ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1995-11-09 WO claimed
EP-4689232-A2 SUSTAINABLE PREPARATION OF HEXAMETHYLENE DIISOCYANATE FOR THE PRODUCTION OF POLYURETHANE Covestro Deutschland AG (DE) 2026-02-11 EP disclosed
CN-119896763-A Pasty biological tissue adhesive capable of being coated and preparation method and application thereof 哈尔滨工业大学 2025-04-29 CN disclosed
WO-2024208940-A2 SUSTAINABLE PREPARATION OF HEXAMETHYLENE DIISOCYANATE FOR THE PRODUCTION OF POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2024-10-10 WO disclosed
EP-4442859-A1 SUSTAINABLE PRODUCTION OF HEXAMETHYLENE DIISOCYANATE FOR THE PRODUCTION OF POLYURETHANE Covestro Deutschland AG (DE) 2024-10-09 EP disclosed
CN-117069901-A Lignin-based phenolic resin and preparation method thereof 江苏理文造纸有限公司 2023-11-17 CN disclosed
CN-101502728-A Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2009-08-12 CN disclosed
US-4105858-A Quaternary salts of methacrylic or acrylic esters and cationic quaternary polyelectrolytes and ion exchange resins thereof CESKOSLOVENSKA AKADEMIE VED (CS) 1978-08-08 US disclosed
US-4077963-A Quaternary salts of methacrylic or acrylic esters CESKOSLOVENSAK AKADEMIE VED (CS) 1978-03-07 US disclosed
US-4011204-A QUATERNARY SALTS OF METHACRYLIC OR ACRYLIC ESTERS AND CATIONIC QUATERNAY POLYELECTROLYTES AND ION EXCHANGE RESINS THEREOF CESKOSLOVENSKA AKADEMIE VED (CS) 1977-03-08 US disclosed