SCHEMBL6906556

SCHEMBL6906556

C=C(C)C(=O)OC(O)(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 3/20 0.32

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
SCHEMBL513355 0.81 THRB (0.33) THRBALDH1A1TSHR
SCHEMBL5084731 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL1537086 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL222704 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL535043 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL1536959 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL751394 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL1536846 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL769255 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL1537176 0.77 ALDH1A1 (0.38) THRBALDH1A1TSHR

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-6833419-B2 Fluorine-modified comb polymers based on acryloydimethyltaurine acid CLARIANT GMBH (DE) 2004-12-21 US disclosed