SCHEMBL17025979

SCHEMBL17025979

C1=CCC(c2cccc3cc4ccc5cc6ccccc6cc5c4cc23)=C1.[CsH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
HIF1A Q16665 3/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
CASP1 P29466 2/20 0.31
ERBB2 P04626 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL146502 0.98 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDCYP1A2HIF1A
SCHEMBL28469696 0.97 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDCYP1A2HIF1A
SCHEMBL27854717 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDCYP1A2HIF1A
Diethylaniline SCHEMBL28184642 0.85 CNR2 (0.34) ALDH1A1HSD17B10HPGDCYP1A2KDM4E
SCHEMBL27612072 0.85 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDCYP1A2HIF1A
SCHEMBL5556074 0.84 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDCYP1A2HIF1A
SCHEMBL27627835 0.82 ALDH1A1 (0.31) ALDH1A1HSD17B10HPGDCYP1A2MAPK1
SCHEMBL5696379 0.79 SLC6A3 (0.41) ALDH1A1HSD17B10HPGDCYP1A2KDM4E
SCHEMBL9268395 0.78 HPRT1 (0.48) ALDH1A1HSD17B10HPGDCYP1A2HIF1A
SCHEMBL6242909 0.77 SLC6A3 (0.40) ALDH1A1HSD17B10CYP1A2KDM4EGAA

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-104685650-B The salt of the cyclopentadiene of n-type dopant as organic electronic device 西门子公司 2018-03-27 CN disclosed
US-9871200-B2 Salts of cyclopentadiene as n-dopants for organic electronics SIEMENS AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-20150243889-A1 SALTS OF CYCLOPENTADIENE AS N-DOPANTS FOR ORGANIC ELECTRONICS SIEMENS AKTIENGESELLSCHAFT (DE) 2015-08-27 US disclosed
CN-104685650-A Salts of cyclopentadiene as n-dopants for organic electronics SIEMENS AG 2015-06-03 CN disclosed