Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL29051935

CNCCOCC(C)C.N

nearest known ligand 0.39

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9024417 0.97
SCHEMBL23695892 0.93 MEN1 (0.38) KDM4ELMNATDP1HTR1DHTR1B
SCHEMBL22848852 0.93 MEN1 (0.38) KDM4ELMNATDP1HTR1DHTR1B
SCHEMBL20076246 0.93 MEN1 (0.38) KDM4ELMNATDP1HTR1DHTR1B
SCHEMBL9604664 0.83 HTR1B (0.38) KDM4ELMNATDP1HTR1DHTR1B
SCHEMBL19577777 0.82 KDM4E (0.33) KDM4ELMNATDP1HTR1DHTR1B
SCHEMBL23897093 0.81 EPHX1 (0.37) LMNAHTR1B
SCHEMBL23875671 0.81 MEN1 (0.33) KDM4EMEN1KMT2A
SCHEMBL23560285 0.79 HTR1B (0.35) KDM4EHTR1B
SCHEMBL20648659 0.79 EPHX1 (0.41) LMNAHTR1B

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-116390907-A Process for producing secondary and tertiary amines 亨斯迈石油化学有限责任公司 2023-07-04 CN claimed
CN-116390907-A Process for producing secondary and tertiary amines 亨斯迈石油化学有限责任公司 2023-07-04 CN disclosed