SCHEMBL8416409

SCHEMBL8416409

C=C(C)C(=O)OCC(OCC)C([SiH3])(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL3665950 0.76 THRB (0.36) TSHRTHRBALDH1A1
SCHEMBL3971381 0.74 ALDH1A1 (0.34) TSHRTHRBALDH1A1
SCHEMBL27382842 0.74 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL28882758 0.74 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL2289378 0.73 TSHR (0.59) TSHRTHRBALDH1A1
SCHEMBL3826406 0.73 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL7557762 0.72 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL2535560 0.72 TSHR (0.68) TSHRTHRBALDH1A1
SCHEMBL10939402 0.70 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL580728 0.70 THRB (0.47) TSHRTHRBALDH1A1

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-5910286-A Highly selective chemical sensor THOMSON-CSF (FR) 1999-06-08 US disclosed