SCHEMBL28655952

SCHEMBL28655952

C=C(C)C(=O)OC(C)O.C=C(C)C(=O)OCCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR2 Q8TDS4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
LMNA P02545 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
SCHEMBL10617483 0.90 TSHR (0.64) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL719781 0.87 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10620402 0.85 TSHR (0.52) TSHRTHRBALDH1A1HSD17B10GAA
SCHEMBL16573 0.84
SCHEMBL21772349 0.84 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
Isopropylamine SCHEMBL28930589 0.83 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
Propanol SCHEMBL28040664 0.83 TSHR (0.44) TSHRTHRBALDH1A1
Alcohol SCHEMBL27759500 0.83 TSHR (0.47) TSHRTHRBALDH1A1GAAMGAM
Hydrogen Sulfide SCHEMBL6879353 0.82 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL31358617 0.82 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417954-A Photo-thermal dual-curable polyurethane polymer, preparation method and composite material thereof 万华化学(北京)有限公司 2022-12-02 CN disclosed
CN-215096165-U High-humidity-resistant EVA (ethylene-vinyl acetate) intermediate film for shower room safety glass 南京金永发塑胶加工制品有限公司 2021-12-10 CN disclosed