SCHEMBL24305870

SCHEMBL24305870

CN(S(=O)(=O)C(F)(F)C(=O)OCC1(C)CC2CCCC(C2)C1)S(=O)(=O)C(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SCN9A Q15858 9/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ GBA2 Q9HCG7 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
SCHEMBL12674667 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12667071 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL17413326 0.81 — —
SCHEMBL17407605 0.76 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18913220 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL17545698 0.74 SCN9A (0.35) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL593099 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL26190602 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
Ammonia Solution, Strong SCHEMBL16105230 0.72 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL2247103 0.72 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1SCN9A

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-3981806-A1 HIGH REFRACTIVE INDEX MATERIALS Rohm and Haas Electronic Materials LLC (US) 2022-04-13 — — EP disclosed
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