SCHEMBL26312836

SCHEMBL26312836

C=C(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)cc1I

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL26312843 0.91 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26312829 0.83 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25455817 0.82 CA12 (0.35) NPC1USP2MAPTTSHRRAB9A
SCHEMBL25985195 0.82 ESR1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26312842 0.82
SCHEMBL26506873 0.81 ELANE (0.32)
SCHEMBL18786047 0.79 CA12 (0.39) NPC1USP2MAPTTSHRRAB9A
SCHEMBL26312835 0.79
SCHEMBL26827584 0.78 HTT (0.34)
SCHEMBL26312851 0.78 ELANE (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230296981-A1 RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed