SCHEMBL8960849

SCHEMBL8960849

O=C1C=C(Br)C(=O)O1.O=C1OC(=O)C(Cl)=C1Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
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
SCHEMBL3200760 0.86
SCHEMBL152564 0.72
SCHEMBL27787231 0.66 PTGS2 (0.45) ALDH1A1
SCHEMBL10781014 0.61 ALOX15 (0.33)
SCHEMBL659512 0.61 CYP1A2 (0.41) TSHRALDH1A1
SCHEMBL7935726 0.61
SCHEMBL2166602 0.59
SCHEMBL4699417 0.59
SCHEMBL1960493 0.59
SCHEMBL1960492 0.59

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536612-A Encapsulated toner for heat-and-pressure fixing and method for production thereof KAO CORPORATION (JP) 1996-07-16 US disclosed
EP-0615167-A1 Encapsulated toner for heat-and-pressure fixing and method for production thereof KAO CORPORATION (JP) 1994-09-14 EP disclosed