SCHEMBL809052

SCHEMBL809052

O=C(O)C(Cl)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.55
CA1 P00915 4/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
TSHR P16473 1/20 0.50
FOLH1 Q04609 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TACR1 P25103 2/20 0.46
MAPK1 P28482 1/20 0.45
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL809237 0.98 SLC1A1 (0.54) SLC1A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5551687 0.98 SLC1A1 (0.54) SLC1A1CA1CA2CA7CA9
SCHEMBL809091 0.98 SLC1A1 (0.54) SLC1A1CA1CA2CA7CA9
SCHEMBL5551683 0.87 ALDH1A1 (0.52) SLC1A1CA1CA2CA7CA9
SCHEMBL27740201 0.87 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL11025934 0.86 ALDH1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL809238 0.84 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
Potassium Ion SCHEMBL809092 0.84 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL31532269 0.83 ALDH1A1 (0.47) SLC1A1CA1CA2CA7CA9
SCHEMBL31532270 0.83 ALDH1A1 (0.47) SLC1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954635-A Preparation method of 3-benzyloxy-2-chloropropionic acid potassium salt 苏州敬业医药化工有限公司 2025-05-09 CN claimed
CN-102408348-A Novel preparation method of gadobenate dimeglumine TIANJIN HAIWEN PUNING TECHNOLOGY DEV CO LTD 2012-04-11 CN claimed
EP-1588998-B1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2011-11-30 EP claimed
EP-1948590-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2010-08-18 EP claimed
JP-4476486-B2 2010-06-09 JP claimed
CN-1315776-C A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2007-05-16 CN claimed
EP-1045838-B1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO IMAGING SPA (IT) 2007-02-28 EP claimed
CN-1699325-A A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2005-11-23 CN claimed
EP-1588998-A1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt Bracco Imaging S.p.A. (IT) 2005-10-26 EP claimed
EP-1095009-B1 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO IMAGING SPA (IT) 2005-06-15 EP claimed
US-6417354-B1 ALKYLATION USING HALOACETIC ACID; BASIC HYDROLYSIS UNDER HIGH PRESSURE; DECYCLIZATION, RING EXPANSION, SALT FORMATION, QUATERNIZATION DIBRA S.P.A. (IT) 2002-07-09 US claimed
JP-2002520305-A 2002-07-09 JP claimed
CN-1307558-A Process for preparing 4-carboxy-5, 8, 11-tris (carboxymethyl) -1-phenyl-2-oxa-5, 8, 11-triazatridecane-13-oic acid BRACCO IMAGING SPA (IT) 2001-08-08 CN claimed
EP-1095009-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID Bracco Imaging S.p.A. (IT) 2001-05-02 EP claimed
US-6162947-A Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan DIBRA S.P.A. (IT) 2000-12-19 US claimed
EP-1045838-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.p.A. (IT) 2000-10-25 EP claimed
WO-2000002847-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO S.P.A. (IT) 2000-01-20 WO claimed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 WO claimed
CN-119954635-A Preparation method of 3-benzyloxy-2-chloropropionic acid potassium salt 苏州敬业医药化工有限公司 2025-05-09 CN disclosed
US-4440686-A 2-Azido-3-benzyloxy-propionic acid-benzyl ester, process for its production and its use DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed