SCHEMBL22017382

SCHEMBL22017382

Cc1cc2c(cc1I)c1cc(I)c(I)cc1c1cc(I)c(I)cc21

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL19526470 0.82 LDHA (0.34)
SCHEMBL31291547 0.80 TTR (0.33) TTR
SCHEMBL12803312 0.80 TTR (0.33) TTR
SCHEMBL1685558 0.79 TTR (0.37) TTRALDH1A1TP53CYP3A4TSHR
SCHEMBL18649170 0.79 TTR (0.33) TTR
SCHEMBL19526447 0.79 LDHA (0.35)
SCHEMBL1369255 0.76 TTR (0.35) TTRCYP3A4TSHR
SCHEMBL13231291 0.75 TTR (0.32) TTR
SCHEMBL22590609 0.75 TTR (0.30) TTR
SCHEMBL2221187 0.73 CYP3A4 (0.40) TTRALDH1A1CYP3A4TSHR

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-3653660-A1 THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER, THERMALLY CONDUCTIVE MATERIAL FORMATION COMPOSITION, DISC-SHAPED LIQUID CRYSTAL COMPOUND FUJIFILM Corporation (JP) 2020-05-20 EP disclosed