SCHEMBL3666840

SCHEMBL3666840

O=C(O)C(C(=O)O)C(I)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 7/20 0.39
ESR2 Q92731 6/20 0.39
CA2 P00918 2/20 0.39
DRD1 P21728 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3112337 0.79 TDP1 (0.44) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL28688103 0.79 TDP1 (0.44) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL189878 0.79 TDP1 (0.44) SRCTDP1ALDH1A1GAAKMT2A
Methane SCHEMBL20292606 0.78 TDP1 (0.43) SRCTDP1ALDH1A1GAAKMT2A
Iodide SCHEMBL27294834 0.78 TDP1 (0.43) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL22863240 0.77 SRC (0.50) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL20425535 0.76 SRC (0.42) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL876042 0.76 SRC (0.42) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL4877419 0.76 SRC (0.42) SRCTDP1ALDH1A1GAAKMT2A
SCHEMBL22468341 0.75 SRC (0.41) SRCTDP1ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856807-A1 PHOTOCURABLE COMPOSITION FOR USE IN 3D PRINTING BASF SE (DE) 2021-08-04 EP disclosed
WO-2020064522-A1 PHOTOCURABLE COMPOSITION FOR USE IN 3D PRINTING BASF SE (DE) 2020-04-02 WO disclosed
EP-2190903-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2010-06-02 EP disclosed
WO-2009030708-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2009-03-12 WO disclosed