SCHEMBL2957592

SCHEMBL2957592

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
GAA P10253 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

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
SCHEMBL9249667 0.89 ALDH1A1 (0.48) ALDH1A1TSHRGAAHMGCRCHRM1
SCHEMBL8107357 0.89 ALDH1A1 (0.48) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL28189565 0.87 ALDH1A1 (0.46) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL14164382 0.87 ALDH1A1 (0.46) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL9728575 0.87 ALDH1A1 (0.46) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL17243716 0.85 ALDH1A1 (0.41) ALDH1A1TSHRHMGCRCHRM1TBXA2R
Hydrochloric Acid SCHEMBL29290399 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL324871 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL2829360 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHMGCRCHRM1TBXA2R
Citric Acid SCHEMBL667369 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077116-A1 FOAMED ACRYLIC-RESIN OBJECT, PROCESS FOR PRODUCING SAME, AND FIBER-REINFORCED COMPOSITE SEKISUI PLASTICS CO., LTD. (JP) 2019-03-14 US disclosed
EP-3348611-A1 FOAMED ACRYLIC-RESIN OBJECT, PROCESS FOR PRODUCING SAME, AND FIBER-REINFORCED COMPOSITE Sekisui Plastics Co., Ltd. (JP) 2018-07-18 EP disclosed
EP-2231785-A2 ISOMETRIC ISOINDOLINE YELLOW PIGMENT BASF SE (DE) 2010-09-29 EP disclosed
EP-2209467-A2 MULTIPART CAPSULE FOR STAGED RELEASE OF ONE OR MORE SUBSTANCES Glaxo Group Limited (GB) 2010-07-28 EP disclosed
WO-2009074533-A2 ISOMETRIC ISOINDOLINE YELLOW PIGMENT BASF SE (CH) 2009-06-18 WO disclosed
WO-2009050189-A2 MULTIPART CAPSULE FOR STAGED RELEASE OF ONE OR MORE SUBSTANCES GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
US-20060141036-A1 HMG-CoA reductase inhibitor extended release formulation ANDRX LABS LLC (US) 2006-06-29 US disclosed
US-6645524-B2 Capsules housing compressed tablets or drug-containing beads, for administering isomers of solatol and other antiarrhythmics/adrenergic blocking agents PIERCE MANAGEMENT LLC 2003-11-11 US disclosed
US-6500457-B1 PULSATILE RELEASE ORAL DOSAGE FORM FOR ADMINISTRATION OF SOTALOL OR AMIODARONE COMPRISING IMMEDIATE RELEASE DOSAGE UNIT COMPRISING FIRST DOSE, AND DELAYED RELEASE DOSAGE UNIT COMPRISING SECOND DOSE AND MEANS FOR DELAYING RELEASE PEIRCE MANAGEMENT, LLC 2002-12-31 US disclosed
CN-1202189-A Vinylidene chloride polymer compositions and irradiated articles prepared therefrom DOW CHEMICAL CO (US) 1998-12-16 CN disclosed