SCHEMBL27799709

SCHEMBL27799709

CCCCc1c[nH]c(CC)n1.CCOP(O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
NOS2 P35228 1/20 0.30
KCNH2 Q12809 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
SCHEMBL27820896 0.92 HRH3 (0.31) HRH3
SCHEMBL27820895 0.86
SCHEMBL3842012 0.86 HRH3 (0.41) HRH3NOS2KCNH2
SCHEMBL27799707 0.84 HRH3 (0.32) HRH3
SCHEMBL4055366 0.81 KCNH2 (0.46) HRH3KCNH2
SCHEMBL28376279 0.79 KCNH2 (0.48) HRH3KCNH2
SCHEMBL6889381 0.79 KCNH2 (0.48) HRH3KCNH2
SCHEMBL8858270 0.79 KCNH2 (0.48) HRH3KCNH2
Diethyl Hydrogen Phosphate SCHEMBL27820887 0.79 GPR84 (0.31) HRH3NOS2
Nitric Acid SCHEMBL28185790 0.78 GAA (0.33) HRH3NOS2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101935311-B Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR CO LTD 2015-06-10 CN claimed
CN-101935311-A Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR CO LTD 2011-01-05 CN claimed
CN-101935311-B Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR CO LTD 2015-06-10 CN disclosed
CN-101935311-A Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR CO LTD 2011-01-05 CN disclosed