SCHEMBL9848747

SCHEMBL9848747

C=C(C)COC(C)Oc1c(Br)cc(CCC)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.34
THRA P10827 10/20 0.34
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL11168118 0.87 THRA (0.32) THRBTHRA
SCHEMBL10607884 0.84 HSD17B10 (0.33)
SCHEMBL9579756 0.80
SCHEMBL5707996 0.79 ALDH1A1 (0.41)
SCHEMBL18684834 0.78 THRB (0.38) THRBTHRA
SCHEMBL5292690 0.78
SCHEMBL6230724 0.76 THRB (0.40) THRBTHRAHRH3
SCHEMBL6655593 0.75 THRB (0.42) THRBTHRA
SCHEMBL10409148 0.75 ALDH1A1 (0.38)
SCHEMBL11169250 0.73 THRB (0.33) THRBTHRA

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-0422620-A2 Screen for projection SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-17 EP disclosed