Guanidine

Guanidine

SCHEMBL9745219

CC(C)(CO)C(O)(Br)Br.CC(C)(CO)C(O)(Br)Br.N=C(N)N.N=C(N)N.N=C(N)N.OB(O)O

nearest known ligand 0.00

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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
Guanidine SCHEMBL9332820 1.00
SCHEMBL179970 0.81
Ethylene Glycol SCHEMBL11369374 0.76
Guanidine SCHEMBL1317565 0.74 NOS1 (0.32)
Guanidine SCHEMBL9716572 0.74 NOS1 (0.32)
Bicarbonate SCHEMBL1304077 0.72 ALDH1A1 (0.36)
Phosphoric Acid SCHEMBL11158359 0.70 LMNA (0.38)
SCHEMBL11192857 0.68 ALDH1A1 (0.50)
Guanidine SCHEMBL1318808 0.68 ALDH1A1 (0.33)
SCHEMBL8573726 0.67

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
US-5087384-A Containing urea, thiourea, biuret, or alkyl substituted urea or thiourea CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1992-02-11 US claimed
US-5087384-A Containing urea, thiourea, biuret, or alkyl substituted urea or thiourea CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1992-02-11 US disclosed