SCHEMBL9683817

SCHEMBL9683817

CC(=O)C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL5404644 0.86 ALDH1A1 (0.38) ALDH1A1HPGDHIF1A
SCHEMBL9328392 0.83 ALDH1A1 (0.37) CPA1ALDH1A1TP53HPGDHIF1A
SCHEMBL10462856 0.80 CPA1 (0.32) CPA1ALDH1A1
SCHEMBL16627956 0.79 CA5A (0.35) ALDH1A1TP53HPGDHIF1A
SCHEMBL17089318 0.79 CA5A (0.35) ALDH1A1TP53HPGDHIF1A
SCHEMBL29278791 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10111520 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL27853893 0.73 ALDH1A1 (0.37) CPA1ALDH1A1
SCHEMBL19283841 0.73 ALDH1A1 (0.39) CPA1ALDH1A1HIF1AFFAR3
SCHEMBL18643781 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708525-A Superfine grain tungsten-based composite material and preparation method thereof 江西澳科新材料科技股份有限公司 2025-03-28 CN disclosed
WO-2017144709-A1 ANTI-VIRAL DRUG DORING INTERNATIONAL GMBH (CH) 2017-08-31 WO disclosed
US-5162572-A Process for preparation of nitroacetate W.R. GRACE & CO.-CONN. (US) 1992-11-10 US disclosed