SCHEMBL5716610

SCHEMBL5716610

C=C(CCO)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
THRB P10828 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
ACHE P22303 3/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DGKA P23743 1/20 0.32
HPGD P15428 1/20 0.31
MGLL Q99685 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL1138993 0.88 TSHR (0.43) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL3291042 0.88 TSHR (0.52) TSHRHCAR2ALDH1A1ACHETDP1
SCHEMBL3476011 0.87 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL7184471 0.87 THRB (0.39) TSHRTHRBALDH1A1
SCHEMBL22576732 0.85 TSHR (0.62) TSHRTHRBHCAR2ACHEDGKA
SCHEMBL8026875 0.85 TSHR (0.43) TSHRTHRBACHE
Dimethylamine SCHEMBL27935350 0.83 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL2696755 0.83 TSHR (0.41) TSHRTHRBALDH1A1ACHEDGKA
SCHEMBL3477341 0.83 TSHR (0.50) TSHRTHRBHCAR2ALDH1A1ACHE
SCHEMBL26129017 0.83 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116355129-A Multi-carboxyl density functional polycarboxylate superplasticizer and preparation method thereof 江苏超力建材科技有限公司 2023-06-30 CN claimed
CN-116355129-A Multi-carboxyl density functional polycarboxylate superplasticizer and preparation method thereof 江苏超力建材科技有限公司 2023-06-30 CN disclosed
CN-116355129-A Multi-carboxyl density functional polycarboxylate superplasticizer and preparation method thereof 江苏超力建材科技有限公司 2023-06-30 CN disclosed
EP-1727867-A1 CURABLE LIQUID RESIN COMPOSITION DSMIP Assets B.V. (NL) 2006-12-06 EP disclosed
WO-2005090488-A1 CURABLE LIQUID RESIN COMPOSITION DSM IP ASSETS B.V. (NL) 2005-09-29 WO disclosed
EP-0068487-B1 CURABLE MOLDING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1986-12-30 EP disclosed
EP-0068487-A2 Curable molding compositions UNION CARBIDE CORPORATION (US) 1983-01-05 EP disclosed