SCHEMBL2880813

SCHEMBL2880813

C=C(C)C(=O)OC(C)C(F)C(F)(F)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7601293 0.81 TSHR (0.36) TSHRALDH1A1
SCHEMBL28331621 0.80 TSHR (0.37) TSHRALDH1A1
SCHEMBL92325 0.78 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL12159365 0.75 TSHR (0.32) TSHR
SCHEMBL15834135 0.74 TSHR (0.33) TSHRALDH1A1
SCHEMBL14627257 0.74 TSHR (0.33) TSHRALDH1A1
SCHEMBL13427459 0.73 TSHR (0.43) TSHRALDH1A1
SCHEMBL14148102 0.72 TSHR (0.38) TSHRALDH1A1
SCHEMBL5177443 0.72 TSHR (0.50) TSHRALDH1A1
SCHEMBL4734217 0.72 TSHR (0.50) 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-20120003583-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed