Cyanate

Cyanate

SCHEMBL28279347

N#CO.O=C=NC1CCCCC1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
EPHX1 P07099 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP3A4 P08684 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
SCHEMBL770478 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL2567809 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL12338087 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL1164134 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL8620 0.88
SCHEMBL12513617 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL13174777 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL15492354 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL19645458 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL16230018 0.88 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4

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-109475810-A Gas separation membrane component 旭化成株式会社 2019-03-15 CN disclosed