SCHEMBL28088641

SCHEMBL28088641

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.31
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL28096995 0.88 CA1 (0.40) TSHRCA1CA9ALDH1A1CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL27769537 0.85 CA1 (0.47) TSHRCA1CA9ALDH1A1CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL7637636 0.85 CA1 (0.47) TSHRCA1CA9ALDH1A1CYP3A4
SCHEMBL4213301 0.83 CA1 (0.46) TSHRCA1CA9
SCHEMBL28402764 0.81 TSHR (0.54) TSHRCA1CA9ALDH1A1CYP3A4
SCHEMBL2561776 0.81 TSHR (0.54) TSHRCA1CA9ALDH1A1CYP3A4
SCHEMBL28249183 0.80 CA1 (0.48) CA1CA9
SCHEMBL698482 0.80 TSHR (0.58) TSHRCA1CA9ALDH1A1CYP3A4
SCHEMBL28068236 0.80 CA1 (0.42) TSHRCA1CA9ALDH1A1CYP3A4
SCHEMBL28385378 0.80 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429104-B Smears and coated film 哈利玛化成株式会社 2018-11-02 CN disclosed
CN-107429104-A Smears and coated film 哈利玛化成株式会社 2017-12-01 CN disclosed
CN-105960423-A Coating composition in the form of non-aqueous transparent dispersion 第三专利投资有限两合公司 2016-09-21 CN disclosed
CN-102766248-B Method for preparing liquid urethane acrylate resin by recovered solid polyurethane GUANGZHOU BOSSIN CHEMICAL TECHNOLOGY CO LTD 2014-04-09 CN disclosed
CN-102766248-A Method for preparing liquid urethane acrylate resin by recovered solid polyurethane GUANGZHOU BOSSIN CHEMICAL TECHNOLOGY CO LTD 2012-11-07 CN disclosed