SCHEMBL25475640

SCHEMBL25475640

CC(OC(=O)c1cc(I)cc(I)c1O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
GABRA1 P14867 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
ERN1 O75460 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
CFTR P13569 1/20 0.32
MEN1 O00255 2/20 0.32
HSPD1 P10809 2/20 0.32
BLM P54132 2/20 0.32

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
SCHEMBL24361036 0.87 TTR (0.38) TTRGABRA1ERN1CA12CA1
SCHEMBL25739037 0.87 GABRA1 (0.36) TTRGABRA1GABRG2GABRB3GABRA5
SCHEMBL23383201 0.86 TTR (0.37) TTRERN1CA12CA1CA2
SCHEMBL25476688 0.85 TTR (0.39) TTRGABRA1GABRG2GABRB3GABRA5
SCHEMBL23559308 0.80 TTR (0.36) TTR
SCHEMBL23559283 0.79 TTR (0.34) TTRGABRA1GABRG2GABRB3GABRA5
SCHEMBL24776315 0.78 TTR (0.33) TTRGABRA1GABRG2GABRB3GABRA5
SCHEMBL26343082 0.78 TTR (0.37) TTRERN1
SCHEMBL19756047 0.76 TTR (0.32) TTR
SCHEMBL24361041 0.74 SOS1 (0.32) CA12CA1CA2CA7CA9

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
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed