SCHEMBL8965568

SCHEMBL8965568

C=C(C)C(=O)OCC(C)C(C)C(O)OC(=O)C(=C)C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8965966 0.91 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL23494255 0.83 TSHR (0.64) TSHRTHRBALDH1A1
SCHEMBL7766598 0.83 TSHR (0.69) TSHRTHRBALDH1A1
SCHEMBL8966000 0.82 TSHR (0.75) TSHRTHRBALDH1A1
SCHEMBL8965784 0.81 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL8965470 0.81 TSHR (0.62) TSHRTHRBALDH1A1
SCHEMBL538796 0.81 TSHR (0.67) TSHRTHRBALDH1A1
SCHEMBL8966053 0.79 TSHR (0.64) TSHRTHRBALDH1A1
SCHEMBL8955984 0.77 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL8965814 0.77 TSHR (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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed