SCHEMBL6327730

SCHEMBL6327730

[C]#CC(C)OCC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6595963 0.78
SCHEMBL9090628 0.78 ALDH1A1 (0.33)
SCHEMBL6592961 0.74
SCHEMBL7523990 0.74
SCHEMBL3318588 0.73
SCHEMBL9088708 0.72
SCHEMBL9089796 0.71 HSD17B10 (0.37)
SCHEMBL11191983 0.71
SCHEMBL945319 0.71
SCHEMBL9091076 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878672-B2 Herbicidal emulsion compositions TOKUYAMA CORPORATION (JP) 2005-04-12 US disclosed
US-20030191024-A1 Herbicidal emulsion compositions TOKUYAMA CORPORATION (JP) 2003-10-09 US disclosed
EP-0901752-B1 Herbicidal composition TOKUYAMA CORP (JP) 2002-11-20 EP disclosed
EP-0872484-B1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2002-10-02 EP disclosed
US-20020047103-A1 Liquid crystalline compounds having a silane diyl group, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO PETROCHEMICAL CORPORATION (JP) 2002-04-25 US disclosed
EP-0893421-B1 ALKENYL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2002-03-06 EP disclosed
US-6337034-B1 COMPOUNDS HAVING WIDE TEMPERATURE RANGE OF LIQUID CRYSTAL PHASE, LOW VISCOSITY, LOW THRESHOLD VOLTAGE AND EXCELLENT STABILITY, WHICH ARE READILY MIXED WITH VARIOUS LIQUID CRYSTAL MATERIALS AND GOOD IN SOLUBILITY AT LOW TEMPERATURE CHISSO CORPORATION (JP) 2002-01-08 US disclosed
US-6329027-B1 Chlorobenzene derivatives, liquid-crystal composition, and liquid-crystal display elements CHISSO CORPORATION (JP) 2001-12-11 US disclosed
EP-1160251-A2 Liquid crystalline compounds having a silane diyl group, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO CORPORATION (JP) 2001-12-05 EP disclosed
US-6231934-B1 Alkenyl compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0774456-B1 Ethenyl amide compounds production process TOKUYAMA CORP (JP) 1999-07-14 EP disclosed
EP-0926120-A1 FLUORINATED ALKYL ETHER COMPOUNDS, LIQUID-CRYSTAL COMPOSITIONS, AND LIQUID-CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-06-30 EP disclosed
EP-0901752-A1 Herbicidal composition TOKUYAMA CORPORATION (JP) 1999-03-17 EP disclosed
EP-0893421-A1 ALKENYL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed
EP-0885875-A1 VINYLENE COMPOUNDS AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1998-12-23 EP disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP disclosed
US-5723665-A REACTING SCHIFF BASE WITH ACYL HALIDE UNDER LOW PRESSURE WHILE REMOVING BY-PRODUCED HYDROGEN HALIDE; AMIDATION TOKUYAMA CORPORATION (JP) 1998-03-03 US disclosed
EP-0774456-A1 Ethenyl amide compounds production process TOKUYAMA CORPORATION (JP) 1997-05-21 EP disclosed
US-5583227-A INHIBIT SECRETION OF GASTRIC ACID MOCHIDA PHARMACEUTICAL CO. LTD. (JP) 1996-12-10 US disclosed
EP-0685468-A1 Pyrazine and quinoxaline derivatives and their use as anti-ulcer agents Mochida Pharmaceutical Co., Ltd. (JP) 1995-12-06 EP disclosed