SCHEMBL7755571

SCHEMBL7755571

C=C(C(=O)OCCCO)C(O)CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.34
ACHE P22303 6/20 0.33
NAAA Q02083 1/20 0.32
CASP1 P29466 1/20 0.32
HPGD P15428 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
SCHEMBL1563318 0.84 TSHR (0.61) TSHRNAAA
SCHEMBL28708751 0.83 TSHR (0.40) TSHRTHRBCASP1
SCHEMBL28427957 0.81 TSHR (0.39) TSHRTHRBACHECASP1
SCHEMBL9352894 0.81 TSHR (0.45) TSHRACHENAAAHPGD
SCHEMBL7778077 0.81 CASP1 (0.35) TSHRTHRBCASP1
SCHEMBL6676093 0.80 TSHR (0.51) TSHRACHENAAA
SCHEMBL6685907 0.79 TSHR (0.46) TSHRACHENAAAHPGD
SCHEMBL20787946 0.79 TSHR (0.54) TSHRACHENAAA
SCHEMBL6684035 0.79 TSHR (0.46) TSHRACHENAAAHPGD
SCHEMBL5385552 0.79 CASP1 (0.46) TSHRTHRBCASP1

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
EP-0878741-B1 Electrostatic image-developing toner MITSUBISHI CHEM CORP (JP) 2001-04-11 EP disclosed