SCHEMBL28709339

SCHEMBL28709339

CC[N+](C)(CC)CC.CC[N+](C)(CC)CC.O=C([O-])C(F)(Br)C(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.41

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
SCHEMBL29456770 0.82 BBOX1 (0.43) BBOX1
SCHEMBL29456833 0.82 BBOX1 (0.43) BBOX1
SCHEMBL29456835 0.78 BBOX1 (0.41) BBOX1
SCHEMBL28719655 0.78 BBOX1 (0.41) BBOX1
SCHEMBL28719664 0.78 BBOX1 (0.41) BBOX1
SCHEMBL28715637 0.78 BBOX1 (0.41) BBOX1
Pivalate SCHEMBL4916733 0.77 BBOX1 (0.46) BBOX1
SCHEMBL28610481 0.75 CA4 (0.35)
Bicarbonate SCHEMBL557717 0.75 BBOX1 (0.54) BBOX1
SCHEMBL5182673 0.75 BBOX1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108475822-B Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same 斯泰拉化工公司 2022-03-11 CN disclosed