Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4626476

CCCC(CCC)=C(CCC)CCC.N

nearest known ligand 0.44

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
FFAR3 O14843 3/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HDAC6 Q9UBN7 1/20 0.35
CTSD P07339 1/20 0.33

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
SCHEMBL29038511 0.95 CES2 (0.47) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL6472104 0.78 ALDH1A1 (0.42) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL6472101 0.78 ALDH1A1 (0.42) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28958962 0.75 CES2 (0.52) CES2CES1TSHRALDH1A1
SCHEMBL28078062 0.75 CES1 (0.39) CES2CES1HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL4627589 0.75 CES1 (0.50) CES2CES1TSHRALDH1A1
SCHEMBL11878844 0.75 ALDH1A1 (0.40) CES2CES1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL28457839 0.73 ALDH1A1 (0.33) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL16038257 0.72 CES2 (0.37) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL14409827 0.72 CES2 (0.37) CES2CES1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535976-B1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORP (JP) 2008-01-16 EP disclosed
EP-1535976-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR Corporation (JP) 2005-06-01 EP disclosed
US-20050112386-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORPORATION (JP) 2005-05-26 US disclosed