Biguanide

Biguanide

SCHEMBL28649727

C=CC(=O)O.N=C(N)NC(=N)N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
FGFR4 P22455 1/20 0.43
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.30

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
Acrylic Acid SCHEMBL1551833 0.84 LMNA (0.53) LMNAALDH1A1TSHRFGFR4HSD17B10
Acrylic Acid SCHEMBL11507321 0.83
Acrylic Acid SCHEMBL29036466 0.82 LMNA (0.50) LMNAALDH1A1TSHRFGFR4HSD17B10
Fumaric Acid SCHEMBL27815669 0.81 TSHR (0.50) LMNAALDH1A1TSHRHSD17B10CYP1A2
Maleic Acid SCHEMBL27794496 0.81 TSHR (0.50) LMNAALDH1A1TSHRHSD17B10CYP1A2
Biguanide SCHEMBL4198353 0.80 ACHE (0.40) LMNAALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL1398236 0.79
Acrylic Acid SCHEMBL28209397 0.78 LMNA (0.59) LMNAALDH1A1TSHRFGFR4HSD17B10
Biguanide SCHEMBL8973572 0.77 ACHE (0.38) LMNAALDH1A1TSHRCYP1A2CYP2C19
Acrylic Acid SCHEMBL29690448 0.76 LMNA (0.77) LMNAALDH1A1TSHRFGFR4HSD17B10

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-108366561-B Biocidal active polymer composition 路博润先进材料公司 2021-09-28 CN disclosed