Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8411985

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

nearest known ligand 0.40

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK5 Q16478 1/20 0.40
TDP1 Q9NUW8 3/20 0.33
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL28187480 0.97 GRIK1 (0.41) GRIK1GRIA4GRIK3GRIK5TDP1
Ammonia Solution, Strong SCHEMBL27555453 0.82 ALDH1A1 (0.39) FFAR3ALDH1A1
SCHEMBL1831176 0.82 TDP1 (0.41) GRIK1GRIA4GRIK3GRIK5TDP1
SCHEMBL8688580 0.82 TDP1 (0.41) GRIK1GRIA4GRIK3GRIK5TDP1
SCHEMBL1831174 0.82 TDP1 (0.41) GRIK1GRIA4GRIK3GRIK5TDP1
Ammonia Solution, Strong SCHEMBL20210811 0.80 TDP1 (0.42) GRIK1TDP1FFAR3ALDH1A1ALOX15
SCHEMBL28279159 0.79 ALDH1A1 (0.40) GRIK1GRIA4GRIK3GRIK5FFAR3
Hydrochloric Acid SCHEMBL6937458 0.78 TDP1 (0.40) GRIK1TDP1FFAR3ALDH1A1ALOX15
SCHEMBL317482 0.77 GRIK1 (0.36) GRIK1GRIA4GRIK3GRIK5
SCHEMBL5253704 0.77

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
US-5866673-A REACTING POLYAMIDE WITH A COMPOUND WHICH CONTAINS BOTH A POLYMERISABLE DOUBLE BOND AND AN OXIRANE RING, GRAFT POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-02 US disclosed