SCHEMBL17870859

SCHEMBL17870859

C=CCOCCC[C](O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 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
SCHEMBL17870861 0.93 MEN1 (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL19743043 0.91 MEN1 (0.36) MEN1POLBKMT2ACA1CA2
SCHEMBL10625171 0.85
SCHEMBL3935151 0.82 TSHR (0.48) MEN1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL827143 0.79 POLB (0.48) MEN1POLBKMT2ACA1CA2
SCHEMBL826294 0.79 POLB (0.48) MEN1POLBKMT2ACA1CA2
SCHEMBL5038496 0.77 MEN1 (0.36) MEN1POLBKMT2ACA1CA2
SCHEMBL1470267 0.77 ALOX15 (0.35) MEN1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL197964 0.76 POLB (0.46) MEN1POLBKMT2ACA1CA2
SCHEMBL469931 0.76 POLB (0.46) MEN1POLBKMT2ACA1CA2

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
US-20170368480-A1 Selective Flocculants for Mineral Ore Benefication KEMIRA OYJ (FI) 2017-12-28 US disclosed
EP-3237115-A1 SELECTIVE FLOCCULANTS FOR MINERAL ORE BENEFICIATION KEMIRA OYJ (FI) 2017-11-01 EP disclosed
WO-2016106131-A1 SELECTIVE FLOCCULANTS FOR MINERAL ORE BENEFICIATION MOORE LUCAS (US) 2016-06-30 WO disclosed