SCHEMBL9199265

SCHEMBL9199265

CCOCC(OCC)(OCC)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
THRB P10828 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
SCHEMBL932478 0.82 TSHR (0.31) TSHR
SCHEMBL20135806 0.81 THRB (0.46) ALDH1A1TSHRTHRB
SCHEMBL932079 0.79 GAA (0.33) TSHRLMNAGAA
SCHEMBL8731568 0.77 THRB (0.40) ALDH1A1TSHRHSD17B10THRB
SCHEMBL9193544 0.77 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10GAA
SCHEMBL3216331 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL27820166 0.76 EGLN1 (0.36) LMNA
SCHEMBL17797777 0.76 CA1 (0.41) ALDH1A1TSHRLMNA
SCHEMBL10401254 0.76 THRB (0.44) ALDH1A1TSHRLMNAHSD17B10THRB
SCHEMBL28340661 0.76 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10GAA

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-108779128-B Organic semiconductor 天光材料科技股份有限公司 2022-03-04 CN disclosed
EP-0422252-B1 Method for detecting a substance using chemiluminescence TORAY INDUSTRIES (JP) 1995-07-26 EP disclosed
US-5206149-A Reaction of peroxidase, oxidant, luminol and 2-hydroxy-9-fluorenone enhancer; chemiluminescence TORAY INDUSTRIES, INC. (JP) 1993-04-27 US disclosed
EP-0422252-A1 Method for detecting a substance using chemiluminescence TORAY INDUSTRIES, INC. (JP) 1991-04-17 EP disclosed