SCHEMBL31487362

SCHEMBL31487362

CCCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
FDPS P14324 3/20 0.38
TSHR P16473 5/20 0.36
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMPD1 P17405 2/20 0.31
LMNA P02545 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
SCHEMBL28183909 0.80 ALDH1A1 (0.42) ALDH1A1FDPSTSHR
SCHEMBL28182216 0.80 FAAH (0.48) LMNA
SCHEMBL15339686 0.79 ALDH1A1 (0.46) ALDH1A1FDPSTSHRCES2CES1
SCHEMBL1998822 0.77 ALDH1A1 (0.50) ALDH1A1FDPSTSHRCES2CES1
SCHEMBL17030340 0.77 ALDH1A1 (0.44) ALDH1A1FDPSTSHRCES2CES1
SCHEMBL28651207 0.77 ALDH1A1 (0.41) ALDH1A1FDPSTSHRSMPD1
SCHEMBL11399668 0.75 ALDH1A1 (0.42) ALDH1A1FDPSTSHR
SCHEMBL8466546 0.75 ALDH1A1 (0.42) ALDH1A1FDPSTSHRCES2CES1
SCHEMBL30096953 0.75 ALDH1A1 (0.42) ALDH1A1FDPSTSHR
SCHEMBL10386629 0.74 LMNA (0.39) ALDH1A1TSHRTDP1LMNA

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-119764557-A Electrolyte and application thereof 惠州亿纬锂能股份有限公司 2025-04-04 CN disclosed