SCHEMBL7908260

SCHEMBL7908260

CCC1COC(c2ccc(C#N)cc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
TBXA2R P21731 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
TBXAS1 P24557 2/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
ELANE P08246 1/20 0.34
GRM2 Q14416 1/20 0.34
GRIA2 P42262 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL12542923 1.00 CYP2A6 (0.40) CYP2A6CHRNA10CHRNA9TBXA2RALDH1A1
SCHEMBL1934043 0.87 CYP2A6 (0.38) CYP2A6CHRNA10CHRNA9TBXA2RALDH1A1
SCHEMBL1934042 0.87 CYP2A6 (0.38) CYP2A6CHRNA10CHRNA9TBXA2RALDH1A1
SCHEMBL9555906 0.85 CYP2A6 (0.34) CYP2A6CHRNA10CHRNA9TBXA2RL3MBTL1
SCHEMBL9555911 0.85 CYP2A6 (0.34) CYP2A6CHRNA10CHRNA9TBXA2RL3MBTL1
SCHEMBL7910396 0.84 GRM2 (0.41) CYP2A6CHRNA10CHRNA9TBXA2RHRH3
SCHEMBL1934266 0.84 GRM2 (0.41) CYP2A6CHRNA10CHRNA9TBXA2RHRH3
SCHEMBL1934965 0.83 GRM2 (0.46) CYP2A6TBXA2RALDH1A1HRH3GRM2
SCHEMBL10640565 0.83 TSHR (0.40) CYP2A6HRH3GRM2GRIA2KCNH2
SCHEMBL4650784 0.83 GRM2 (0.46) CYP2A6TBXA2RALDH1A1HRH3GRM2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57085881-A None JP disclosed
EP-2511318-B1 METHOD FOR PRODUCING CONJUGATED POLYMER FUJIFILM CORP (JP) 2018-02-21 EP disclosed
EP-2511318-A1 METHOD FOR PRODUCING CONJUGATED POLYMER FUJIFILM Corporation (JP) 2012-10-17 EP disclosed
US-20120241326-A1 METHOD OF PREPARING CONJUGATED POLYMER FUJIFILM CORPORATION (JP) 2012-09-27 US disclosed
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
EP-0394417-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-08-04 EP disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0205503-A1 LIQUID CRYSTALLINE PHASE. MERCK PATENT GMBH (DE) 1986-12-30 EP disclosed
WO-1986006372-A1 BENZONITRILE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed
EP-0199004-A1 Pyrimidine derivatives MERCK PATENT GmbH (DE) 1986-10-29 EP disclosed
WO-1986005799-A1 LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed
WO-1986003769-A1 LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-03 WO disclosed
WO-1986002375-A1 LIQUID CRYSTAL COMPOSITION MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-04-24 WO disclosed
EP-0151446-A2 Liquid crystal phase MERCK PATENT GmbH (DE) 1985-08-14 EP disclosed
EP-0149238-A2 Nitrogen containing heterocycles MERCK PATENT GmbH (DE) 1985-07-24 EP disclosed
EP-0144013-A2 Thienothiophene derivatives MERCK PATENT GmbH (DE) 1985-06-12 EP disclosed
JP-S5785881-A LIQUID CRYSTAL COMPOSITION SEIKO EPSON CORP 1982-05-28 JP disclosed