SCHEMBL503812

SCHEMBL503812

C[N+](C)(C)CCOP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)C1O)OP(=O)([O-])O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
GLA P06280 1/20 0.68
P2RY2 P41231 4/20 0.57
ST6GAL1 P15907 10/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
MTOR P42345 1/20 0.52
MDM2 Q00987 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
P2RY4 P51582 2/20 0.50
P2RY6 Q15077 1/20 0.50

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
Ammonia Solution, Strong SCHEMBL28018228 0.99 TSHR (0.67) TSHRGLAP2RY2ST6GAL1L3MBTL1
SCHEMBL27601953 0.94 TSHR (0.72) TSHRGLAP2RY2ST6GAL1L3MBTL1
SCHEMBL6402546 0.93 TSHR (0.65) TSHRGLAP2RY2ST6GAL1L3MBTL1
SCHEMBL23199844 0.92 TSHR (0.64) TSHRGLAP2RY2ST6GAL1L3MBTL1
Choline SCHEMBL23199845 0.92 TSHR (0.69) TSHRGLAP2RY2ST6GAL1L3MBTL1
SCHEMBL760215 0.91 TSHR (0.68) TSHRGLAP2RY2ST6GAL1L3MBTL1
SCHEMBL1794713 0.89 TSHR (0.76) TSHRGLAP2RY2ST6GAL1L3MBTL1
Citicoline SCHEMBL25411862 0.88 TSHR (0.76) TSHRGLAP2RY2ST6GAL1P2RY4
Citicoline SCHEMBL221081 0.88 TSHR (0.73) TSHRGLAP2RY2ST6GAL1P2RY4
Citicoline SCHEMBL50799 0.88 TSHR (0.73) TSHRGLAP2RY2ST6GAL1P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502397-B2 Parenteral nutrition formulation and methods of preparation thereof STELLAR BIOMOLECULAR RESEARCH GMBH (DE) 2025-12-23 US claimed
US-20250367206-A1 1-METHYLXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2025-12-04 US claimed
US-12419860-B2 Time release sleep aid system NIGHTWISE, LLC (US) 2025-09-23 US claimed
US-12390470-B2 1-methylxanthine-based bioactive composition and method of use thereof Ingenious Ingredients, LP (US) 2025-08-19 US claimed
WO-2025040605-A1 OPHTHALMOLOGICAL COMPOSITION CONTAINING AT LEAST ONE NICOTINIC ACETYLCHOLINE RECEPTOR MODULATOR FOR TOPICAL ADMINISTRATION TO THE EYE FOR PREVENTING OR TREATING INFLAMMATION OF THE EYE URSAPHARM ARZNEIMITTEL GMBH (DE) 2025-02-27 WO claimed
EP-4489731-A2 INTRA-DOSAGE FORM COATINGS AND APPLICATIONS THEREOF Balchem Corporation (US) 2025-01-15 EP claimed
US-20240415810-A1 TIME RELEASE SLEEP AID SYSTEM NIGHTWISE, LLC 2024-12-19 US claimed
CN-118946346-A Inner coating for dosage forms and use thereof 百尔康公司 2024-11-12 CN claimed
CN-117979971-A Bioactive compositions based on 1-methylxanthines and methods of use thereof 独创成分有限合伙公司 2024-05-03 CN claimed
EP-3524613-B1 CRYSTAL OF CYTIDINE DIPHOSPHATE CHOLINE AND PRODUCTION METHOD THEREOF KYOWA HAKKO BIO CO LTD (JP) 2024-04-03 EP claimed
EP-1939210-A1 METHOD FOR PURIFICATION OF CYTIDINEDIPHOSPHORIC CHOLINE KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-07-02 EP claimed
US-20060189566-A1 Muscle building agent and preventive or remedy for muscle weakening KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-08-24 US claimed
US-20060051461-A1 Nutrified coffee compositions JAVALUTION COFFEE COMPANY, INC. 2006-03-09 US claimed
EP-1604671-A1 MUSCLE-BUILDING AGENT AND PREVENTIVE OR REMEDY FOR MUSCLE WEAKENING KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-12-14 EP claimed
US-6387667-B1 USING RECOMBINANT MICROORGANISM CULTURES WHICH PRODUCE SPECIFIC ENZYMES AND OROTIC ACID AND CHOLINE AS STARTING MATERIALS KYOWA HAKKO KOGYO, CO., LTD. (JP) 2002-05-14 US claimed
US-5725852-A CYTIDINE DIPHOSPHATE CHOLINE ABSORPTION PROMOTER TAKEDA CHEMICAL INDUSTRIES, LD. (JP) 1998-03-10 US claimed
EP-0553821-B1 Process for producing cytidine diphosphate choline KYOWA HAKKO KOGYO KK (JP) 1997-03-19 EP claimed
EP-0566135-A1 Transmucosal composition comprising a peptide and a cytidine derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP claimed
EP-0553821-A1 Process for producing cytidine diphosphate choline KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-04 EP claimed
US-RE28886-E Method for preparing cytidine diphosphate choline KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-06-29 US claimed