SCHEMBL23212344

SCHEMBL23212344

N=C=O.N=C=O.O=C=NC1CCCCC1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 1/20 0.31
HIF1A Q16665 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
SCHEMBL5460574 0.92 ALDH1A1 (0.57) ALDH1A1EPHX1HIF1A
SCHEMBL26012 0.92 ALDH1A1 (0.57) ALDH1A1EPHX1HIF1A
SCHEMBL9323923 0.92 ALDH1A1 (0.57) ALDH1A1EPHX1HIF1A
SCHEMBL19937393 0.89 ALDH1A1 (0.62) ALDH1A1EPHX1HIF1A
SCHEMBL15011490 0.89 ALDH1A1 (0.62) ALDH1A1EPHX1HIF1A
SCHEMBL29020365 0.89 ALDH1A1 (0.62) ALDH1A1EPHX1HIF1A
SCHEMBL26610 0.86 ALDH1A1 (0.50) ALDH1A1
SCHEMBL9439785 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7264968 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL502747 0.80 ALDH1A1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041830-A1 THERMALLY CURABLE TWO-COMPONENT COATING COMPOUNDS BASF SE (DE) 2022-08-17 EP disclosed
WO-2021069295-A1 THERMALLY CURABLE TWO-COMPONENT COATING COMPOUNDS BASF SE (DE) 2021-04-15 WO disclosed