Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4606388

BCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.N

nearest known ligand 0.59

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.59
KCNH2 Q12809 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 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
SCHEMBL532850 0.98 KIF11 (0.61) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL15051981 0.95 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Water SCHEMBL28757871 0.95 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL810137 0.89 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8365385 0.85 SIGMAR1 (0.50) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7092683 0.83 KIF11 (0.54) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Tetrabuthylammonium SCHEMBL22518565 0.80 KIF11 (0.44) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Diethylaniline SCHEMBL6747844 0.80 KIF11 (0.44) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8772344 0.79 KIF11 (0.43) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL2922340 0.77 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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
EP-1947157-A1 SEALING MATERIAL FOR FLAT PANEL DISPLAY Mitsui Chemicals, Inc. (JP) 2008-07-23 EP disclosed
US-5055372-A Photohardenable composition containing borate salts and ketone initiators THE MEAD CORPORATION (US) 1991-10-08 US disclosed