Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7718356

CCCCCC1(C(=O)O)CCCCCC1.N

nearest known ligand 0.49

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
CETP P11597 4/20 0.47
TBXAS1 P24557 2/20 0.47
CYP4F2 P78329 6/20 0.42
CYP4A11 Q02928 6/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AKR1B1 P15121 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL7713424 0.98 TBXAS1 (0.49) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL2915831 0.98 CYP2C19 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL887729 0.98 CYP2C19 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL30701364 0.98 CYP2C19 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL7258608 0.96 TBXAS1 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL887781 0.96 TBXAS1 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL8034730 0.96 TBXAS1 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL1264712 0.96 TBXAS1 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
SCHEMBL482363 0.96 TBXAS1 (0.50) CYP2C19CETPTBXAS1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL10584019 0.96 TBXAS1 (0.49) CYP2C19CETPTBXAS1CYP4F2CYP4A11

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-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US claimed
US-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US disclosed