SCHEMBL31049447

SCHEMBL31049447

COCCCC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
APEX1 P27695 3/20 0.32
NFKB1 P19838 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ACHE P22303 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PMP22 Q01453 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL29904694 0.81 BBOX1 (0.39) BBOX1KMT2A
SCHEMBL625129 0.79 DNM1 (0.54) MEN1KMT2AAPEX1NFKB1KDM4E
SCHEMBL1358717 0.79 DNM1 (0.54) MEN1KMT2AAPEX1NFKB1KDM4E
SCHEMBL622995 0.79 DNM1 (0.54) MEN1KMT2AAPEX1NFKB1KDM4E
SCHEMBL925224 0.79 DNM1 (0.41) BBOX1MEN1KMT2AAPEX1NFKB1
SCHEMBL231898 0.77 BBOX1 (0.33) BBOX1
SCHEMBL1535099 0.77 CHRM2 (0.30)
SCHEMBL21231229 0.75 MEN1 (0.56) BBOX1MEN1KMT2AAPEX1NFKB1
SCHEMBL924745 0.74 BBOX1 (0.30) BBOX1
SCHEMBL29388164 0.74 BBOX1 (0.30) BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118507837-B Electrolyte and secondary battery 深圳欣界能源科技有限公司 2024-11-22 CN claimed
CN-118507837-A Electrolyte and secondary battery 深圳欣界能源科技有限公司 2024-08-16 CN claimed
CN-118507837-B Electrolyte and secondary battery 深圳欣界能源科技有限公司 2024-11-22 CN disclosed
CN-118507837-A Electrolyte and secondary battery 深圳欣界能源科技有限公司 2024-08-16 CN disclosed