SCHEMBL4096632

SCHEMBL4096632

C=C(C)C(=O)OC(C)OC(C)OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL13126153 0.98 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL8494461 0.93 TSHR (0.42) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL269141 0.93 ALDH1A1 (0.46) TSHRALDH1A1THRB
SCHEMBL10350826 0.93 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL10350827 0.91 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL7634557 0.91 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL216468 0.91 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL538063 0.90 TSHR (0.50) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL11802483 0.89 TSHR (0.39) TSHRALDH1A1
SCHEMBL11805723 0.89 TSHR (0.39) TSHRALDH1A1

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-107892372-B Water-soluble five-membered polymer molecular brush dye capturing settling agent, and preparation method and application thereof 顺德职业技术学院 2020-09-01 CN claimed
EP-2548900-A1 CATIONIC NANOGELS FOR BIOTECHNOLOGICAL USES Universidad del Pais Vasco (ES) 2013-01-23 EP claimed
WO-2009061898-A1 CONDUCTIVE COMPOSITION FOR BLACK BUS ELECTRODE, AND FRONT PANEL OF PLASMA DISPLAY PANEL E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-14 WO disclosed
EP-0461651-A1 Recording medium FUJI PHOTO FILM CO., LTD. (JP) 1991-12-18 EP disclosed