SCHEMBL31300161

SCHEMBL31300161

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL27646175 0.78
SCHEMBL27541008 0.78
SCHEMBL4445521 0.78 TSHR (0.52) TSHRALDH1A1CYP3A4HPGD
SCHEMBL6674106 0.77
SCHEMBL5909629 0.77
SCHEMBL7174517 0.76 ZDHHC20 (0.52) TSHRALDH1A1CYP3A4HPGD
SCHEMBL1085538 0.75 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL29153267 0.75 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28199265 0.75 ZDHHC20 (0.55) TSHRALDH1A1CYP3A4HPGD
SCHEMBL28050433 0.75 ZDHHC20 (0.55) TSHRALDH1A1CYP3A4HPGD

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-119101260-A Double-network hydrogel, double-network hydrogel for packaging nano-carriers and medicines, and preparation method and application thereof 四川省医学科学院·四川省人民医院 2024-12-10 CN claimed
CN-119101260-A Double-network hydrogel, double-network hydrogel for packaging nano-carriers and medicines, and preparation method and application thereof 四川省医学科学院·四川省人民医院 2024-12-10 CN disclosed