Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28014231

CC(C)=C(c1ccccc1)c1ccccc1.N

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 2/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5988427 0.97 ESR1 (0.52) ESR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25501695 0.83 ESR1 (0.47) ESR1HDAC3HDAC4HDAC1HDAC7
Ammonia Solution, Strong SCHEMBL28027299 0.81 CES1 (0.50) ESR1CES2CES1LMNAMAPK1
SCHEMBL28481713 0.79 ESR1 (0.58) ESR1CES2CES1PTGS2ALDH1A1
Methyl Alcohol SCHEMBL28843164 0.78 ESR1 (0.50) ESR1CES2CES1L3MBTL1PTGS2
SCHEMBL67982 0.77 CES1 (0.53) ESR1CES2CES1LMNAMAPK1
Benzene SCHEMBL28326432 0.77 CES1 (0.53) ESR1CES2CES1LMNAMAPK1
SCHEMBL9806361 0.77 ESR1 (0.77) ESR1CES2CES1PTGS2CYP19A1
SCHEMBL11700371 0.76 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4044608 0.74 ESR1 (0.48) ESR1CES2CES1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415602-A 2- cyanoacrylate system adhesive composite 东亚合成株式会社 2019-03-01 CN disclosed
CN-105579537-B Adhesive composite 东亚合成株式会社 2018-11-27 CN disclosed
CN-104937056-B Adhesive composition 东亚合成株式会社 2018-03-02 CN disclosed
CN-104640947-B 2 cyanoacrylate system adhesive compositions 东亚合成株式会社 2017-10-03 CN disclosed
CN-105593307-A Curable resin composition TOAGOSEI CO LTD 2016-05-18 CN disclosed
CN-105579537-A Adhesive composition TOAGOSEI CO LTD 2016-05-11 CN disclosed
CN-104937056-A Adhesive composition TOAGOSEI CO LTD 2015-09-23 CN disclosed
CN-104640947-A 2-cyanoacrylate-based adhesive composition TOAGOSEI CO LTD 2015-05-20 CN disclosed