SCHEMBL3419618

SCHEMBL3419618

C=Cc1nccn1CCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.56
POLB P06746 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TBXAS1 P24557 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 5/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
GALR3 O60755 2/20 0.34
ATM Q13315 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL28278332 1.00 TLR8 (0.56) TLR8POLBALDH1A1KMT2ACA1
SCHEMBL7203009 0.98 TLR8 (0.57) TLR8POLBALDH1A1KMT2ACA1
SCHEMBL29391 0.93 ALDH1A1 (0.58) TLR8POLBALDH1A1KMT2ACA1
SCHEMBL28155209 0.92 ALDH1A1 (0.56) TLR8POLBALDH1A1KMT2ACA1
Bromide SCHEMBL28118817 0.92 ALDH1A1 (0.56) TLR8POLBALDH1A1KMT2ACA1
SCHEMBL28877651 0.87 ALDH1A1 (0.51) TLR8POLBALDH1A1KMT2ACA1
SCHEMBL9070573 0.86 ALDH1A1 (0.43) TLR8POLBALDH1A1KMT2AMAPT
Bromide SCHEMBL30689145 0.84 ALDH1A1 (0.42) TLR8POLBALDH1A1KMT2A
SCHEMBL30905635 0.83 TLR8 (0.41) TLR8POLBALDH1A1KMT2ACA1
SCHEMBL28813838 0.83 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603049-A Method and catalyst for preparing isononanoate 兰州交通大学 2024-02-27 CN claimed
US-9782746-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2017-10-10 US disclosed
US-20160114309-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof THE UNIVERSITY OF TOLEDO (US) 2016-04-28 US disclosed
WO-2010017564-A1 BORON SELECTIVE IONIC LIQUIDS AND POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
WO-2010017563-A1 POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed