SCHEMBL28068236

SCHEMBL28068236

C=CC(=O)OCC=CC.O=C1CCCCCO1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 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
SCHEMBL28204306 0.88 CA1 (0.43) CA1CA9TSHRALDH1A1CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL7637636 0.83 CA1 (0.47) CA1CA9TSHRALDH1A1CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL27769537 0.83 CA1 (0.47) CA1CA9TSHRALDH1A1CYP3A4
SCHEMBL28248485 0.83 CA1 (0.41) CA1CA9TSHRALDH1A1CYP3A4
SCHEMBL28088641 0.80 TSHR (0.45) CA1CA9TSHRALDH1A1CYP3A4
SCHEMBL28402764 0.80 TSHR (0.54) CA1CA9TSHRALDH1A1CYP3A4
SCHEMBL2561776 0.80 TSHR (0.54) CA1CA9TSHRALDH1A1CYP3A4
SCHEMBL698482 0.79 TSHR (0.58) CA1CA9TSHRALDH1A1CYP3A4
Acrylic Acid Methyl Ester SCHEMBL27491501 0.79 CA1 (0.52) CA1CA9TSHRALDH1A1
SCHEMBL8362775 0.77 CA1 (0.53) CA1CA9TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105733459-A Adhesive sheet and optical member 日东电工株式会社 2016-07-06 CN disclosed
CN-105733460-A Adhesive sheet and optical member 日东电工株式会社 2016-07-06 CN disclosed
CN-105733461-A Adhesive sheet and optical member 日东电工株式会社 2016-07-06 CN disclosed