SCHEMBL28438522

SCHEMBL28438522

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 7/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL6421553 0.81 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8849877 0.81 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15799604 0.79 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9561357 0.78 HTT (0.32) ALDH1A1
SCHEMBL2033070 0.78 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8849031 0.78 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL891719 0.78 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15805876 0.76 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15798224 0.76 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11114776 0.76 HTT (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499313-B Cement-based aerogel heat insulation board and preparation method thereof 贵州航天建设工程有限公司 2024-08-09 CN claimed
CN-112538760-A Six-carbon fluorine-series high-washing-resistance waterproof and oil-proof agent and preparation method thereof 京准化工技术(上海)有限公司 2021-03-23 CN claimed
CN-111499313-A Cement-based aerogel heat-insulation plate and preparation method thereof 贵州航天建设工程有限公司 2020-08-07 CN claimed
EP-3433086-B1 ENERGETIC MATERIALS TNO (NL) 2026-05-06 EP disclosed
CN-111499313-B Cement-based aerogel heat insulation board and preparation method thereof 贵州航天建设工程有限公司 2024-08-09 CN disclosed
CN-112538760-A Six-carbon fluorine-series high-washing-resistance waterproof and oil-proof agent and preparation method thereof 京准化工技术(上海)有限公司 2021-03-23 CN disclosed
CN-111499313-A Cement-based aerogel heat-insulation plate and preparation method thereof 贵州航天建设工程有限公司 2020-08-07 CN disclosed