SCHEMBL5740045

SCHEMBL5740045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.44
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL11808200 0.98 ADRA1A (0.42) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL5150731 0.81 SLC22A6 (0.36) ADRA1AHMGCRCHRM1TBXA2RTDP1
SCHEMBL7800303 0.81 HMGCR (0.44) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL10794867 0.77 CHRM1 (0.41) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL23913764 0.77 SLC22A6 (0.41) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL20711453 0.77 SLC22A6 (0.41) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL1572820 0.77 SLC22A6 (0.41) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL1572172 0.77 HMGCR (0.50) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL20702101 0.75 HMGCR (0.48) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL11570554 0.74 TSHR (0.36) ADRA1AHMGCRCHRM1TBXA2RCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071687-A4 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC (US) 2003-01-08 EP claimed
JP-2002512249-A 2002-04-23 JP claimed
EP-1071687-A1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA INC. (US) 2001-01-31 EP claimed
US-6111082-A Stable concentrated rare earth carboxylate liquids RHODIA RARE EARTHS INC. (US) 2000-08-29 US claimed
WO-1999054335-A1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC. (US) 1999-10-28 WO claimed
CN-115989245-A Polymerization catalyst composition, method for producing polymerization catalyst composition, and method for producing conjugated diene polymer DIC株式会社 2023-04-18 CN disclosed
WO-2022045282-A1 POLYMERIZATION CATALYST COMPOSITION, METHOD FOR PRODUCING POLYMERIZATION CATALYST COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER DIC株式会社 2022-03-03 WO disclosed
WO-2019110355-A1 BRANCHED ADIPIC ACID BASED ESTERS AS NOVEL BASE STOCKS AND LUBRICANTS BASF SE (DE) 2019-06-13 WO disclosed
EP-1071687-B1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC (US) 2006-09-27 EP disclosed
EP-1071687-A4 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC (US) 2003-01-08 EP disclosed
EP-0894082-B1 SYNTHESIS OF SOLID, POWDERY RARE EARTH CARBOXYLATES BY A PRECIPITATION METHOD RHODIA RARE EARTHS INC (US) 2001-10-31 EP disclosed
EP-1071687-A1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA INC. (US) 2001-01-31 EP disclosed
US-6111082-A Stable concentrated rare earth carboxylate liquids RHODIA RARE EARTHS INC. (US) 2000-08-29 US disclosed
WO-1999054335-A1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC. (US) 1999-10-28 WO disclosed
EP-0894082-A1 SYNTHESIS OF SOLID, POWDERY RARE EARTH CARBOXYLATES BY A PRECIPITATION METHOD RHODIA INC. (US) 1999-02-03 EP disclosed
US-5783676-A Synthesis of solid, powdery rare earth carboxylates by a precipitation method RHODIA INC. (US) 1998-07-21 US disclosed
WO-1997036850-A1 SYNTHESIS OF SOLID, POWDERY RARE EARTH CARBOXYLATES BY A PRECIPITATION METHOD RHODIA INC. (US) 1997-10-09 WO disclosed