SCHEMBL28136755

SCHEMBL28136755

C=C(C)C(=O)OC(C)O.C=C(C)C(=O)OC(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL149032 0.90 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL28451940 0.88 ALDH1A1 (0.39) TSHRALDH1A1
Acetic Acid SCHEMBL2590430 0.86 TSHR (0.45) TSHRALDH1A1
SCHEMBL20364 0.85
SCHEMBL27553112 0.85 TSHR (0.48) TSHRALDH1A1
SCHEMBL10762910 0.85
SCHEMBL11125870 0.85
Ethylene SCHEMBL8934253 0.83 TSHR (0.46) TSHRALDH1A1
SCHEMBL20701419 0.83 TSHR (0.46) TSHRALDH1A1
Acetone SCHEMBL8653588 0.83 TSHR (0.46) TSHRALDH1A1

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
CN-106543852-A A kind of automobile chassis enhanced modified water-base fluorocarbon coating of nanocrystal cellulose and preparation method thereof 铜陵市肆得科技有限责任公司 2017-03-29 CN disclosed