E968

E968

SCHEMBL7528113

C=C(C)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(=C)C.OCC(O)C(O)CO

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.32
TGFBR1 P36897 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
Alcohol SCHEMBL9000833 0.84 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL8610770 0.84 ALDH1A1 (0.48) TSHRALDH1A1THRB
SCHEMBL1428431 0.84 ALDH1A1 (0.48) TSHRALDH1A1THRB
SCHEMBL11070335 0.76 THRB (0.46) TSHRALDH1A1THRB
SCHEMBL22401555 0.76 TSHR (0.47) TSHRALDH1A1THRB
Glycerin SCHEMBL6982256 0.76 TSHR (0.36) TSHRALDH1A1THRBTGFBR1
Propylene Glycol SCHEMBL16752113 0.76 TSHR (0.40) TSHRALDH1A1THRBTGFBR1
SCHEMBL7949238 0.76 HCAR2 (0.48) TSHRALDH1A1
SCHEMBL4017018 0.76 HCAR2 (0.48) TSHRALDH1A1
Maleic Acid SCHEMBL5086355 0.76 HCAR2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622413-B1 Polyester films for magnetic recording media TORAY INDUSTRIES (JP) 2002-02-27 EP disclosed
EP-0622413-A1 POLYESTER COMPOSITION AND FILM MADE THEREFROM TORAY INDUSTRIES, INC. (JP) 1994-11-02 EP disclosed