SCHEMBL13303757

SCHEMBL13303757

CCCCC(C)(C)c1cc2c3nc(C#N)c(C#N)nc3c3cc(C(C)(C)CCCC)cc4c5nc(C#N)c(C#N)nc5c(c1)c2c34

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 17/20 0.37
▸ CNR1 P21554 12/20 0.37
▸ ALDH1A1 P00352 1/20 0.32
▸ 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
SCHEMBL13293072 0.90 CNR1 (0.32) CNR2CNR1
SCHEMBL22778697 0.69 CNR2 (0.43) CNR2CNR1
SCHEMBL16122422 0.68 CNR2 (0.43) CNR2CNR1
SCHEMBL10704064 0.66 CNR2 (0.45) CNR2CNR1
SCHEMBL27346143 0.65 CNR1 (0.32) CNR2CNR1ALDH1A1MAPK1
SCHEMBL9469714 0.65 CNR2 (0.43) CNR2CNR1
SCHEMBL19954823 0.64 CNR2 (0.61) CNR2CNR1
SCHEMBL4263013 0.62 CNR1 (0.50) CNR2CNR1
SCHEMBL13303746 0.61 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9638520 0.61 CNR2 (0.47) CNR2CNR1

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
EP-1836731-B1 ORGANIC THIN FILM TRANSISTOR LG CHEMICAL LTD (KR) 2017-10-11 — — EP disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 — — US disclosed
US-7714323-B2 Organic thin film comprising pyrene derivatives LG CHEM. LTD. (KR) 2010-05-11 — — US disclosed
WO-2007004803-A9 ORGANIC THIN FILM TRANSISTOR LG CHEMICAL LTD (KR) 2009-07-23 — — WO disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 — — US disclosed
US-20070023749-A1 Organic thin film transistor LG CHEM, LTD (KR) 2007-02-01 — — US disclosed
WO-2007004799-A1 PYRENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING PYRENE DERIVATIVES LG CHEM. LTD. (KR) 2007-01-11 — — WO disclosed
WO-2007004803-A2 ORGANIC THIN FILM TRANSISTOR LG CHEM, LTD. (KR) 2007-01-11 — — WO disclosed
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