SCHEMBL29094306

SCHEMBL29094306

C=C(C)C(=O)OCCC(=C)C(=O)OCCNC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 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
SCHEMBL108325 0.89 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Ammonia Solution, Strong SCHEMBL8131325 0.87 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL1410288 0.87 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Bromide SCHEMBL7209515 0.87 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Chloromethane SCHEMBL28216852 0.85 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Trimethylammonium SCHEMBL28548536 0.84 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29094305 0.82 THRB (0.32) THRBTSHR
SCHEMBL515795 0.82 TSHR (0.38) THRBTSHRALDH1A1EPHX1
Sulfuric Acid SCHEMBL3273309 0.82 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Sulfuric Acid SCHEMBL8025357 0.82 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1

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-116948087-A Zwitterionic polymer precursor material for coating implantable sensor and preparation method thereof 杭州柏医健康科技有限公司 2023-10-27 CN disclosed
CN-116948097-A Zwitterionic polymer for implantable biosensor and preparation method and application thereof 杭州柏医健康科技有限公司 2023-10-27 CN disclosed