SCHEMBL5429993

SCHEMBL5429993

C=C(C)C(=O)OC(CCC)C(=O)OC1(CC)C2CC3CC(C2)CC1C3

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
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
SCHEMBL5433088 0.90 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL5432978 0.88 CYP17A1 (0.33) TSHRALDH1A1
SCHEMBL5437046 0.83 TSHR (0.35) TSHRALDH1A1
SCHEMBL5433515 0.82 TSHR (0.33) TSHR
SCHEMBL951279 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL44041 0.79 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL30421164 0.78 TSHR (0.35) TSHRALDH1A1
SCHEMBL5437611 0.77 CYP17A1 (0.34) TSHRALDH1A1
SCHEMBL12914700 0.76 ALDH1A1 (0.32) TSHRALDH1A1
Methacrylic Acid SCHEMBL5857340 0.76 ALDH1A1 (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072120-A1 Method for producing resin for chemically amplified positive resist SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2007-03-29 US disclosed