SCHEMBL9511250

SCHEMBL9511250

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

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL9511245 0.88 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL2771676 0.88 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL5596127 0.85 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL28601550 0.83 TSHR (0.37) ALDH1A1TSHR
SCHEMBL28888840 0.81 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL1899001 0.81 TSHR (0.39) ALDH1A1TSHR
SCHEMBL9861959 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2884637 0.79 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL5597024 0.79 THRB (0.47) ALDH1A1TSHR
SCHEMBL10349869 0.78 TSHR (0.33) ALDH1A1TSHR

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