SCHEMBL26129017

SCHEMBL26129017

C=C(CO)C(=O)OCCC.C=C(CO)C(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
ACHE P22303 1/20 0.31
NAAA Q02083 1/20 0.30
DGKA P23743 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
SCHEMBL52703 1.00 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1GAA
Phosphoric Acid SCHEMBL15156944 0.92 TSHR (0.39) TSHRTHRBHCAR2ALDH1A1GAA
Acrylic Acid SCHEMBL9248645 0.89 HCAR2 (0.43) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL3255275 0.87 ALDH1A1 (0.38) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL15788931 0.87 TSHR (0.66) TSHRTHRBALDH1A1TDP1HPGD
SCHEMBL26126122 0.87 TSHR (0.55) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL198447 0.87 TSHR (0.55) TSHRTHRBHCAR2ALDH1A1SMN1; SMN2
SCHEMBL3788731 0.85 TSHR (0.63) TSHRHCAR2ALDH1A1LMNAHPGD
SCHEMBL3478021 0.84 TSHR (0.45) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL5085052 0.84 TSHR (0.67) TSHRHCAR2ALDH1A1LMNAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023195398-A1 ADHESIVE COMPOSITION, ADHESIVE FILM FOR CIRCUIT CONNECTION, CIRCUIT CONNECTION STRUCTURE, AND METHOD OF PRODUCING SAME 株式会社レゾナック 2023-10-12 WO disclosed