SCHEMBL28826311

SCHEMBL28826311

C=CC(=O)OCC(F)C(F)C(F)CCCCF

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4452604 0.95 TSHR (0.42) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9317310 0.92 TSHR (0.44) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL27697752 0.91 TSHR (0.43) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL21581915 0.91 TSHR (0.43) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL10339370 0.89 TSHR (0.44) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9302441 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL28765878 0.83 TSHR (0.52) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9301642 0.80 TSHR (0.52) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9312017 0.80 TSHR (0.52) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL29209500 0.78 TSHR (0.50) TSHRALDH1A1CYP3A4TP53HIF1A

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-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN disclosed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN disclosed