Guanidine

Guanidine

SCHEMBL508398

N=C(N)N.N=C(N)N.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)O

nearest known ligand 0.52

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.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
ACLY P53396 2/20 0.36
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Guanidine SCHEMBL508257 0.88 THRB (0.43) THRBACLYACHEALDH1A1L3MBTL1
Pimagedine SCHEMBL507475 0.85 THRB (0.44) THRBACLY
Hydroxyamine SCHEMBL508266 0.85 THRB (0.60) THRBACLYALDH1A1L3MBTL1
Hydrazine SCHEMBL507826 0.85 THRB (0.60) THRBACLYALDH1A1L3MBTL1
SCHEMBL430675 0.85 THRB (0.67) THRBACLYALDH1A1L3MBTL1
SCHEMBL27598834 0.83 THRB (0.52) THRBACLYACHEALDH1A1L3MBTL1
SCHEMBL10663868 0.82 THRB (0.63) THRBACLYALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2784370 0.82 THRB (0.63) THRBACLYALDH1A1L3MBTL1
SCHEMBL11607819 0.82 THRB (0.63) THRBACLYALDH1A1L3MBTL1
SCHEMBL8031206 0.82 THRB (0.63) THRBACLYALDH1A1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US claimed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US claimed
US-20080251169-A1 IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2008-10-16 US claimed
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US disclosed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US disclosed
US-8012277-B2 Mixture with activator; desentization melt ALLIANT TECHSYSTEMS INC. (US) 2011-09-06 US disclosed
US-20080251169-A1 IONIC LIQUID, A METHOD OF SYNTHESIZING AN IONIC LIQUID, A PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID, AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2008-10-16 US disclosed