SCHEMBL6402546

SCHEMBL6402546

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
GLA P06280 1/20 0.65
P2RY2 P41231 7/20 0.58
P2RY6 Q15077 6/20 0.55
ST6GAL1 P15907 4/20 0.54
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
MTOR P42345 1/20 0.53
MDM2 Q00987 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
P2RY4 P51582 4/20 0.52

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
SCHEMBL760215 0.94 TSHR (0.68) TSHRGLAP2RY2P2RY6ST6GAL1
SCHEMBL23199844 0.94 TSHR (0.64) TSHRGLAP2RY2P2RY6ST6GAL1
SCHEMBL503812 0.93 TSHR (0.68) TSHRGLAP2RY2P2RY6ST6GAL1
Ammonia Solution, Strong SCHEMBL28018228 0.93 TSHR (0.67) TSHRGLAP2RY2P2RY6ST6GAL1
SCHEMBL27601953 0.92 TSHR (0.72) TSHRGLAP2RY2ST6GAL1LMNA
Choline SCHEMBL23199845 0.90 TSHR (0.69) TSHRGLAP2RY2ST6GAL1LMNA
Citicoline SCHEMBL14235352 0.90 P2RY2 (0.70) TSHRGLAP2RY2P2RY6ST6GAL1
Citicoline SCHEMBL13933086 0.90 P2RY2 (0.70) TSHRGLAP2RY2P2RY6ST6GAL1
Citicoline SCHEMBL29356848 0.90 P2RY2 (0.70) TSHRGLAP2RY2P2RY6ST6GAL1
Citicoline SCHEMBL8303928 0.90 P2RY2 (0.70) TSHRGLAP2RY2P2RY6ST6GAL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240122949-A1 METHOD OF TREATING VARIOUS DISORDERS AND CONDITIONS USING CITICOLINE John p s (IN) 2024-04-18 US claimed
CN-115916152-A Parenteral nutritional formulation 巴克斯特国际公司 2023-04-04 CN claimed
CN-112203530-A Parenteral nutrition preparation 巴克斯特国际公司 2021-01-08 CN claimed
CN-119955879-A Method for synthesizing citicoline by biological enzyme 拓新药业集团股份有限公司 2025-05-09 CN disclosed
CN-114276394-B Citicoline spherical crystal and preparation method thereof 成都海博为药业有限公司 2024-06-25 CN disclosed
US-20240122949-A1 METHOD OF TREATING VARIOUS DISORDERS AND CONDITIONS USING CITICOLINE John p s (IN) 2024-04-18 US disclosed
US-20240122949-A1 METHOD OF TREATING VARIOUS DISORDERS AND CONDITIONS USING CITICOLINE John p s (IN) 2024-04-18 US disclosed
EP-3524613-B1 CRYSTAL OF CYTIDINE DIPHOSPHATE CHOLINE AND PRODUCTION METHOD THEREOF KYOWA HAKKO BIO CO LTD (JP) 2024-04-03 EP disclosed
CN-117074588-A Method for simultaneously detecting multiple choline metabolites 博莱克科技(武汉)有限公司 2023-11-17 CN disclosed
US-11805793-B2 Feed additive composition for ruminants AJINOMOTO CO., INC. (JP) 2023-11-07 US disclosed
CN-115916152-A Parenteral nutritional formulation 巴克斯特国际公司 2023-04-04 CN disclosed
CN-1944661-A Process for preparing citicoline sodium TIANJI BIOLOG PHARMACEUTICAL C (CN) 2007-04-11 CN disclosed
CN-1836670-A Microsphere injection for treating ophthalmopathy DUAN YADONG (CN) 2006-09-27 CN disclosed
CN-1745850-A Implant agent for treating ophthalmopathy DUAN YADONG (CN) 2006-03-15 CN disclosed
US-20050274817-A1 Perfume gel composition EAIRA LTD. (IE) 2005-12-15 US disclosed
EP-1482992-A1 PERFUME GEL COMPOSITION Inovair Limited (GB) 2004-12-08 EP disclosed
CN-1172002-C Production of L-aspartic acid from silkworm fibroin fixed cells 江苏大学 2004-10-20 CN disclosed
CN-1456677-A Production of L-aspartic acid from silkworm fibroin fixed cells UNIV JIANGSU (CN) 2003-11-19 CN disclosed
WO-2003074095-A1 PERFUME GEL COMPOSITION INOVAIR LIMITED (GB) 2003-09-12 WO disclosed
CN-1395935-A Citicoline sodium injection for intravenous injection and its preparing process LI DAPENG (CN) 2003-02-12 CN disclosed