SCHEMBL6046953

SCHEMBL6046953

[CH2]CC(CCC)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.41
HPGD P15428 1/20 0.41
CTSK P43235 1/20 0.36
THRB P10828 3/20 0.35
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL9545994 0.90 TSHR (0.45) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL27957788 0.87 TSHR (0.46) TSHRHPGDTHRBMAPK1
SCHEMBL1132293 0.86 TSHR (0.46) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL8193910 0.86 TSHR (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL971960 0.85 TSHR (0.41) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL2129127 0.83 TSHR (0.51) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL11501642 0.83 TSHR (0.40) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL9326835 0.83 TSHR (0.40) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL6454869 0.82 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494037 0.81 TSHR (0.44) TSHRHPGDCTSKTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898511-A Sea urchin-shaped nano TiO2Method for preparing graft acrylic resin antibacterial material 杭州天籁新型材料有限公司 2021-06-04 CN disclosed
CN-103718091-B Silicon-containing liquid crystal aligning agent, liquid crystal orientation film and liquid crystal display cells 日产化学工业株式会社 2016-08-31 CN disclosed
EP-1279443-B1 Antireflective, mar-resistant multilayer laminate SHINETSU CHEMICAL CO (JP) 2006-08-30 EP disclosed
US-6846568-B2 Antireflective, mar-resistant multilayer laminate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030087102-A1 Antireflective, mar-resistant multilayer laminate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-05-08 US disclosed
EP-1279443-A2 Antireflective, mar-resistant multilayer laminate Shin-Etsu Chemical Co., Ltd. (JP) 2003-01-29 EP disclosed