Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6567907

C=CC(=O)C1CCCCC1.N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 3/20 0.35
EPHX1 P07099 4/20 0.34
RECQL P46063 1/20 0.34
SRD5A2 P31213 1/20 0.34
HSD11B2 P80365 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL11688563 0.97 CES2 (0.50) THRATHRBCES2CES1HDAC8
SCHEMBL18849431 0.97 CES2 (0.50) THRATHRBCES2CES1HDAC8
SCHEMBL761937 0.97 CES2 (0.50) THRATHRBCES2CES1HDAC8
SCHEMBL1581889 0.95
SCHEMBL1056492 0.90
SCHEMBL24851670 0.89 THRA (0.44) THRATHRBCES2CES1HDAC8
SCHEMBL24852405 0.87 THRA (0.43) THRATHRBCES2CES1HDAC8
SCHEMBL22457958 0.87 THRA (0.43) THRATHRBCES2CES1HDAC8
SCHEMBL20800026 0.87 THRA (0.47) THRATHRBCES2CES1HDAC8
SCHEMBL24852366 0.87 THRA (0.47) THRATHRBCES2CES1HDAC8

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
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed