SCHEMBL28023153

SCHEMBL28023153

C=C(C)C(=O)OC(CC)N=C=S

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL814047 0.84 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL5574536 0.84 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL28418180 0.77 TSHR (0.38) TRPA1TRPV1TSHRALDH1A1
SCHEMBL29241694 0.74 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL10597576 0.72 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL4612822 0.71 ALDH1A1 (0.36) TSHRALDH1A1THRB
SCHEMBL20183974 0.70 TSHR (0.53) TSHRALDH1A1THRB
SCHEMBL26525 0.70 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL20183942 0.69 TSHR (0.56) TRPA1TRPV1TSHRALDH1A1THRB
SCHEMBL5360818 0.69 TSHR (0.40) TSHRALDH1A1THRB

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-104874031-A Polyurethane derivative for simulating human fibrinolytic system and vascular endothelial system, preparation method and preparation method of related product UNIV SOOCHOW 2015-09-02 CN claimed
CN-104874031-B Polyurethane derivative for simulating human fibrinolytic system and vascular endothelial system, preparation method and preparation method of related product 苏州大学 2017-10-10 CN disclosed
CN-104874031-A Polyurethane derivative for simulating human fibrinolytic system and vascular endothelial system, preparation method and preparation method of related product UNIV SOOCHOW 2015-09-02 CN disclosed
CN-101942105-B Polyurethane material capable of dissolving plasma clot in high efficiency and preparation thereof UNIV SOOCHOW 2012-06-27 CN disclosed
CN-101942105-A Polyurethane material capable of dissolving plasma clot in high efficiency and preparation thereof UNIV SUZHOU 2011-01-12 CN disclosed