SCHEMBL27817546

SCHEMBL27817546

C[N+](C)(C)c1ccccc1.F[B-](F)(F)F.[H+]

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.70
APOBEC3G Q9HC16 1/20 0.70
ACHE P22303 6/20 0.39
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 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
SCHEMBL2149555 0.97 APOBEC3A (0.74) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL147815 0.86 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL12020269 0.86 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL27817432 0.84 APOBEC3A (0.48) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Water SCHEMBL35582 0.83 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL7546894 0.83 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Bromide SCHEMBL238552 0.83 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
SCHEMBL7546898 0.83 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Iodide SCHEMBL11871453 0.83 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E
Bromide SCHEMBL10995909 0.83 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1KDM4E

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
CN-102143984-B Polymerizable compound for optical material, optical material, and optical material manufacturing method MITSUI CHEMICALS INC 2013-08-21 CN disclosed
CN-102143984-A Polymerizable compound for optical material, optical material, and optical material manufacturing method MITSUI CHEMICALS INC 2011-08-03 CN disclosed