SCHEMBL9806301

SCHEMBL9806301

C=CC(=O)OC(=O)C(C)Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.48
HPGD P15428 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL2722981 0.81 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL453358 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28190659 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28082936 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27442768 0.77 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9169902 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28082930 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28082825 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28082964 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL952090 0.77 TSHR (0.38) TSHRALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102432781-A Cross-linkable surface fluorine-containing nano-microsphere and preparation method and application thereof CAS GUANGZHOU CHEMISTRY CO LTD 2012-05-02 CN disclosed
CN-101328273-A Water dispersible magnetic high polymer microsphere and preparation thereof GUANGZHOU INST OF CHEMISTRY (CN) 2008-12-24 CN disclosed
EP-0162306-B1 IMPROVED DUNNAGE MATERIAL THE DOW CHEMICAL COMPANY (US) 1991-04-17 EP disclosed
EP-0162306-A2 Improved dunnage material THE DOW CHEMICAL COMPANY (US) 1985-11-27 EP disclosed