Cyanide

Cyanide

SCHEMBL28149772

C#N.CCCCCC1CCC(C)CC1(C)C

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32

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
SCHEMBL7974252 0.95 EPHX1 (0.34) EPHX1
SCHEMBL1155362 0.89 CYP1A2 (0.34)
SCHEMBL11033685 0.77 ALDH1A1 (0.41) EPHX1
Ammonia Solution, Strong SCHEMBL22283017 0.75 ALDH1A1 (0.39) EPHX1
Cyanide SCHEMBL27571695 0.74 TDP1 (0.36) EPHX1
SCHEMBL27686633 0.73
SCHEMBL27842330 0.70
Ammonia Solution, Strong SCHEMBL8882238 0.68 EPHX1 (0.41) EPHX1
Water SCHEMBL10626597 0.68 CYP1A2 (0.37)
Cyanide SCHEMBL28149851 0.68 EPHX1 (0.31) EPHX1

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-106832170-A The method for preparing rigid polymer foam 巴斯夫欧洲公司 2017-06-13 CN disclosed