Cyanide

Cyanide

SCHEMBL27484248

C#N.CC1CCCC(C)(C)C1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17634027 0.93
SCHEMBL4819466 0.93
SCHEMBL21088951 0.93
SCHEMBL56901 0.93
Water SCHEMBL28043193 0.90 CYP1A2 (0.41) CYP1A2
Methylamine SCHEMBL28038298 0.90 CYP1A2 (0.41) CYP1A2
SCHEMBL10454219 0.90 CYP1A2 (0.41) CYP1A2
Hydrogen Peroxide SCHEMBL27513983 0.88 CYP1A2 (0.48) CYP1A2
SCHEMBL24843672 0.85 CYP1A2 (0.36) CYP1A2
SCHEMBL10775419 0.85 CYP1A2 (0.36) CYP1A2

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-1626069-A Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of diabetic retinopathy WARNER LAMBERT CO (US) 2005-06-15 CN disclosed
CN-1170811-C Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy ��ʲ 2004-10-13 CN disclosed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN disclosed