Sugi Predict

Sugi Predict / Compounds / SCHEMBL4198531

SCHEMBL4198531

SCHEMBL4198531

C=C(C)C(=O)OCC(=O)OC1C2CC3CC(C2)CC1(O)C3

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 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
SCHEMBL12346676 0.85 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL108706 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10020804 0.79 HSD11B1 (0.36) ALDH1A1TSHR
SCHEMBL951735 0.75 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL14632832 0.75 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL21420090 0.75 CYP19A1 (0.41) ALDH1A1TSHRMAPT
SCHEMBL4368872 0.74 JAK2 (0.35) ALDH1A1
SCHEMBL685722 0.73 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2735086 0.72 ALDH1A1 (0.37) ALDH1A1TSHRMAPT
SCHEMBL950132 0.72 ALDH1A1 (0.47) ALDH1A1TSHRMAPT

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
US-7556908-B2 Chemically amplified positive resist composition, (meth)acrylate derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-07 — — US disclosed
US-20050266351-A1 Chemically amplified positive resist composition, (meth)acrylate derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2005-12-01 — — US disclosed