Guanidine

Guanidine

SCHEMBL4966645

N=C(N)N.NC(CO)CO

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Guanidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2354479 0.84 LMNA (0.36)
SCHEMBL74076 0.84
SCHEMBL28286520 0.81
Hydrochloric Acid SCHEMBL45666 0.81
SCHEMBL28293034 0.81
Hypochlorous Acid SCHEMBL25425590 0.77
Hydrochloric Acid SCHEMBL31028436 0.77
Methyl Alcohol SCHEMBL27933314 0.77
Carbamic Acid SCHEMBL27083006 0.76 ACHE (0.47)
Cyanide SCHEMBL2693274 0.74

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
WO-2008104474-A1 DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-04 WO disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 US disclosed