SCHEMBL9511245

SCHEMBL9511245

C=C(C)C(=O)OOC(=O)OOC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
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
SCHEMBL9511250 0.88 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL2884637 0.87 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL28888840 0.84 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL303730 0.79 TSHR (0.44) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2771676 0.78 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL13752249 0.77 THRB (0.50) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL2215339 0.76 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL28221503 0.73 TSHR (0.33) ALDH1A1TSHR
SCHEMBL5596127 0.72 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL3383812 0.71 ALDH1A1 (0.39) ALDH1A1TSHRTHRB

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
EP-0294062-B1 RESIN COMPOSITIONS AND MOLDED PRODUCTS THEREOF UBE INDUSTRIES, LTD. (JP) 1993-09-01 EP disclosed
US-4879341-A WATERPROOF, FLEXIBILE, RIDIGITY, UBE INDUSTRIES, LTD. (JP) 1989-11-07 US disclosed
EP-0294062-A2 Resin compositions and molded products thereof UBE INDUSTRIES, LTD. (JP) 1988-12-07 EP disclosed