SCHEMBL7094773

SCHEMBL7094773

C=C(C)C(=O)OCC(C)C.CC(O)COC(C)CO

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.66
ALDH1A1 P00352 3/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL11664732 0.94 TSHR (0.56) TSHRALDH1A1THRBTDP1
SCHEMBL6836450 0.92 TSHR (0.54) TSHRALDH1A1THRBTDP1
SCHEMBL14125643 0.90 TSHR (0.51) TSHRALDH1A1THRBTDP1
SCHEMBL9710906 0.90 TSHR (0.51) TSHRALDH1A1THRBTDP1
SCHEMBL8852707 0.89 TSHR (0.49) TSHRALDH1A1THRBTDP1
SCHEMBL36340 0.89 TSHR (0.66) TSHRALDH1A1THRBTDP1
SCHEMBL2807087 0.87 TSHR (0.63) TSHRALDH1A1THRBTDP1
SCHEMBL1174727 0.87 TSHR (0.63) TSHRALDH1A1THRBTDP1
SCHEMBL2808626 0.87 TSHR (0.63) TSHRALDH1A1THRBTDP1
SCHEMBL9860995 0.87 TSHR (0.63) TSHRALDH1A1THRBTDP1

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-6543888-B2 Ink-jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-04-08 US disclosed