SCHEMBL5378965

SCHEMBL5378965

C=CC(=O)OCC(O)Cc1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 2/20 0.33
TYMS P04818 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4555544 0.80 TSHR (0.37) TSHRTHRBTYMSALDH1A1
SCHEMBL19193340 0.78 KDM6B (0.49) TSHRTHRBALDH1A1
SCHEMBL1637392 0.77 THRB (0.47) TSHRTHRB
Phthalic Anhydride SCHEMBL5378960 0.76 TSHR (0.49) TSHRTHRBTYMSALDH1A1
SCHEMBL8850716 0.74 THRB (0.46) TSHRTHRBALDH1A1
SCHEMBL15910577 0.73 ALOX15 (0.39) ALDH1A1
SCHEMBL8384744 0.72 TSHR (0.40) TSHR
SCHEMBL6142338 0.72 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL23839109 0.71 GAA (0.44) THRBALDH1A1
SCHEMBL630578 0.71 TSHR (0.42) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211625-B2 Thermoplastic resin composition and elastomer composition KANEKA CORPORATION (JP) 2007-05-01 US disclosed
US-20040106732-A1 Thermoplastic resin composition and elastomer composition KANEKA CORPORATION (JP) 2004-06-03 US disclosed
CN-1040602-A A kind of preparation method of photocuring etchingresistant printing material WUXI CHEMICAL RESEARCH AND DES (CN) 1990-03-21 CN disclosed