Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL17998010

CCC[N+]1(C)CCCC1.N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
BBOX1 O75936 2/20 0.43
TP53 P04637 1/20 0.34
CHRNA7 P36544 3/20 0.34
LMNA P02545 4/20 0.34
KMT2A Q03164 2/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL302222 0.97
Fluoride Ion SCHEMBL28282209 0.94 KDM4E (0.46) KDM4EBBOX1TP53CHRNA7LMNA
Fluoride SCHEMBL19181830 0.94 KDM4E (0.46) KDM4EBBOX1TP53CHRNA7LMNA
Iodide SCHEMBL3925510 0.94 KDM4E (0.52) KDM4EBBOX1TP53CHRNA7LMNA
Bromide SCHEMBL2191358 0.94 KDM4E (0.46) KDM4EBBOX1TP53CHRNA7LMNA
Hydrochloric Acid SCHEMBL715359 0.94 BBOX1 (0.46) KDM4EBBOX1TP53CHRNA7LMNA
Water SCHEMBL15364815 0.94 KDM4E (0.46) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL222638 0.94 KDM4E (0.52) KDM4EBBOX1TP53CHRNA7LMNA
Bromide SCHEMBL31409170 0.92 KDM4E (0.46) KDM4EBBOX1TP53CHRNA7LMNA
Hydrochloric Acid SCHEMBL16931602 0.92 KDM4E (0.50) KDM4EBBOX1TP53CHRNA7LMNA

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
EP-2535328-B1 FLUOROALKANE DERIVATIVE, GELLING AGENT AND GEL COMPOSITION ASAHI KASEI E MATERIALS CORP (JP) 2016-08-24 EP disclosed