Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28092008

CCCCOC(=O)CCCC.N

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.68
ALDH1A1 P00352 2/20 0.56
NAAA Q02083 1/20 0.56
DNM1 Q05193 1/20 0.55
HTR2C P28335 1/20 0.53
ATM Q13315 1/20 0.52
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
PAM P19021 2/20 0.50
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
MGLL Q99685 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL11270665 0.98 DGKA (0.71) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL130610 0.98 DGKA (0.71) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL27336529 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL27532125 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
Hydrogen Peroxide SCHEMBL27761666 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL27515463 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
Water SCHEMBL27325755 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL27335346 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL27333831 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C
SCHEMBL27522685 0.95 DGKA (0.68) DGKAALDH1A1NAAADNM1HTR2C

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-105983370-B Saturated cardanol betaine surfactant, and preparation method and application thereof 中国科学院理化技术研究所 2017-11-21 CN disclosed
CN-105983370-A Saturated cardanol betaine surfactant, and preparation method and application thereof 中国科学院理化技术研究所 2016-10-05 CN disclosed