Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28076220

CCCC(C)C(C)(C)S(=O)(=O)O.N

nearest known ligand 0.36

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6736111 0.98 TP53 (0.38) TP53TSHRCHRM1AKR1A1CHRM3
SCHEMBL2368442 0.96 TP53 (0.36) TP53TSHRCHRM1AKR1A1CHRM3
SCHEMBL6735043 0.85 TP53 (0.44) TP53TSHR
Ammonia Solution, Strong SCHEMBL27619137 0.84 TP53 (0.48) TP53
SCHEMBL28708788 0.82 TP53 (0.33) TP53
SCHEMBL10867424 0.82 TP53 (0.50) TP53
SCHEMBL27956716 0.82 TP53 (0.50) TP53
SCHEMBL3501851 0.80 TP53 (0.33) TP53
SCHEMBL14779447 0.77 TP53 (0.39) TP53TSHRCHRM1AKR1A1CHRM3
SCHEMBL2368437 0.74 CYP3A4 (0.32) TSHR

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
CN-104250380-B Dendritic polymer, dendritic polymer monomer, and preparation methods and application of two 中国石油化工股份有限公司 2017-02-01 CN disclosed
CN-104250358-B A kind of hyper branched copolymer and its preparation method and application 中国石油化工股份有限公司 2016-08-17 CN disclosed