SCHEMBL4456791

SCHEMBL4456791

O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
SLC7A5 Q01650 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
TARBP2 Q15633 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
SCHEMBL10406674 0.92 ALDH1A1 (0.37) ALDH1A1TSHRSLC7A5ADORA3
SCHEMBL7783160 0.90 F2 (0.34) ALDH1A1TSHRF2PRSS1PRSS2
SCHEMBL27457725 0.86 TDP1 (0.38) ALDH1A1TSHRF2PRSS1PRSS2
SCHEMBL11730564 0.86 ALDH1A1 (0.36) ALDH1A1TSHRSLC7A5
Ethylenediamine SCHEMBL11297757 0.85 F2 (0.35) ALDH1A1TSHRF2PRSS1PRSS2
SCHEMBL11862970 0.83 GAA (0.45) ALDH1A1TSHR
SCHEMBL11871467 0.80 ESR1 (0.50) ALDH1A1TSHR
SCHEMBL29445809 0.80
SCHEMBL11870428 0.80 ESR1 (0.50) ALDH1A1TSHR
SCHEMBL9157297 0.78 ALDH1A1 (0.47) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294531-A2 Treatment of polymer substrates Intera Company, Ltd (US) 1988-12-14 EP claimed
WO-2009058579-A1 SOLVENT PROCESS FOR PRODUCING BROMINATED ESTERS ALBEMARLE CORPORATION (US) 2009-05-07 WO disclosed
US-3936514-A Polyalkylene glycol vinyl phosphates STAUFFER CHEMICAL COMPANY (US) 1976-02-03 US disclosed