SCHEMBL28005706

SCHEMBL28005706

C=C(CC(C)O)C(=O)OCCCl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
THRB P10828 1/20 0.32
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
SCHEMBL27344652 0.85 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL28005424 0.85 TSHR (0.35) TSHRALDH1A1
SCHEMBL11233304 0.83 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL5518986 0.80 TSHR (0.37) TSHRTHRB
SCHEMBL6636196 0.79 TET2 (0.37) TSHRTHRB
SCHEMBL10457630 0.79 ALDH1A1 (0.44) TSHRTHRBALDH1A1
SCHEMBL3379752 0.79 TSHR (0.45) TSHR
SCHEMBL27866630 0.77 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL28790989 0.76 TSHR (0.38) TSHRALDH1A1
SCHEMBL27650653 0.76 TSHR (0.36) 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
CN-104835551-A Highly conductive water-based ink SUN CHEMICAL CORP 2015-08-12 CN disclosed