SCHEMBL28670236

SCHEMBL28670236

N#CCCCCCCOC(=O)OCCCCCCC#N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.32
ACHE P22303 6/20 0.31
LTB4R Q15722 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
SCHEMBL28662289 1.00 TSHR (0.37) TSHRALDH1A1CYP3A4NAAAMEN1
SCHEMBL22557957 0.98 MEN1 (0.35) TSHRALDH1A1CYP3A4NAAAMEN1
SCHEMBL22557949 0.91 MEN1 (0.36) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL22558056 0.90 NAAA (0.50) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL22558237 0.90 NAAA (0.50) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL22558213 0.90 NAAA (0.50) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL22557975 0.90 NAAA (0.50) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL22557917 0.88 TSHR (0.43) TSHRALDH1A1NAAAMEN1KMT2A
SCHEMBL22558078 0.88 TSHR (0.48) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL22558230 0.88 TSHR (0.48) TSHRALDH1A1NAAAMEN1KMT2A

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-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN claimed
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed