SCHEMBL6547619

SCHEMBL6547619

CC(C(=O)O)(C(=O)O)C(=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TET2 Q6N021 1/20 0.33
TP53 P04637 1/20 0.32
ACLY P53396 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL170212 0.78 TSHR (0.57) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL27655275 0.76 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9395081 0.74 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL27412728 0.74 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL322477 0.73 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL271740 0.72
SCHEMBL1618313 0.70 ALDH1A1 (1.00) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Pivalate SCHEMBL9128980 0.70
SCHEMBL29373 0.70
SCHEMBL860611 0.69

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138269-B Process method for preparing 2-butanone acid sodium salt 苏州百灵威超精细材料有限公司 2022-08-09 CN claimed
CN-111138269-A Process method for preparing 2-butanone acid sodium salt 苏州百灵威超精细材料有限公司 2020-05-12 CN claimed
CN-111138269-B Process method for preparing 2-butanone acid sodium salt 苏州百灵威超精细材料有限公司 2022-08-09 CN disclosed
CN-111138269-B Process method for preparing 2-butanone acid sodium salt 苏州百灵威超精细材料有限公司 2022-08-09 CN disclosed
CN-111138269-A Process method for preparing 2-butanone acid sodium salt 苏州百灵威超精细材料有限公司 2020-05-12 CN disclosed
CN-111138269-A Process method for preparing 2-butanone acid sodium salt 苏州百灵威超精细材料有限公司 2020-05-12 CN disclosed
EP-1119601-B1 LIQUID DETERGENT KAO CORP (JP) 2004-01-28 EP disclosed
US-6387867-B1 REMOVING OILS; COSMETIC CLEANING COMPOUND KAO CORPORATION (JP) 2002-05-14 US disclosed
EP-1119601-A1 LIQUID DETERGENT Kao Corporation (JP) 2001-08-01 EP disclosed
WO-2001010990-A1 LIQUID DETERGENT KAO CORPORATION (JP) 2001-02-15 WO disclosed
EP-0034387-B1 MULLS CONTAINING CHAIN STRUCTURE CLAY SUSPENSION AIDS THE PROCTER & GAMBLE COMPANY (US) 1984-10-24 EP disclosed
US-4315092-A COMPLEXING, BUILDERS/SOAP/ MONSANTO COMPANY (US) 1982-02-09 US disclosed
EP-0034387-A2 Mulls containing chain structure clay suspension aids THE PROCTER & GAMBLE COMPANY (US) 1981-08-26 EP disclosed
US-4264466-A LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1981-04-28 US disclosed
US-4219437-A Copolymers of keto dicarboxylates MONSANTO COMPANY (US) 1980-08-26 US disclosed
US-4204052-A Copolymers of acetal carboxylates MONSANTO COMPANY (US) 1980-05-20 US disclosed
US-4169934-A COPOLYMERS OF KETO DICARBOXYLATES MONSANTO COMPANY (US) 1979-10-02 US disclosed
US-4146495-A Detergent compositions comprising polyacetal carboxylates MONSANTO COMPANY (US) 1979-03-27 US disclosed
US-4144226-A BIODEGRADABLE DETERGENT BUILDERS MONSANTO COMPANY (US) 1979-03-13 US disclosed
US-4051046-A ANTISTATIC AGENTS, SOFTENERS, WRINKLE RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 1977-09-27 US disclosed