SCHEMBL2111775

SCHEMBL2111775

[CH]=C(C#N)C(=O)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
SCHEMBL2115865 0.76 ALDH1A1 (0.61)
SCHEMBL10872877 0.76
SCHEMBL1754710 0.76 ALDH1A1 (0.61)
SCHEMBL5338908 0.74
SCHEMBL131895 0.73
SCHEMBL12558160 0.73
SCHEMBL29445 0.73
SCHEMBL14776464 0.73 ALDH1A1 (0.57)
SCHEMBL4906704 0.73 CYP2C9 (0.69)
SCHEMBL4961560 0.73 CYP2C9 (0.69)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US claimed
EP-1383772-B1 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2006-08-30 EP claimed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 US claimed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
US-7632954-B2 Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-15 US disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
US-7497970-B2 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US disclosed
EP-1020760-B1 Heat developable image recording material FUJIFILM CORP (JP) 2007-11-14 EP disclosed
US-20070228325-A1 Chiral agent for liquid crystal, liquid crystal composition and polymer, as well as filter for optical recording medium, optical recording medium and color filter liquid for crystal FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed
US-6342689-B1 CONVEYING RECORDING MATERIAL AND SLIDING OVER SURFACE OF BOTTOM HEATER, THERMALLY PROCESSING BOTH SIDES OF MATERIAL BY PRESSING PART OF MATERIAL DURING CONVEYANCE AGAINST SURFACE OF BOTTOM HEATER AND HEATING FROM BOTH TOP AND BOTTOM HEATERS FUJI PHOTO FILM CO., LTD. (JP) 2002-01-29 US disclosed
US-6261754-B1 DIMENSIONAL STABILITY; PROTECTIVE COATING OF POLYMER IN BINDER FUJI PHOTO FILM CO., LTD. (JP) 2001-07-17 US disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-6159654-A Negative photosensitive polymer composition of a thermosetting polymer precursor curable by cyclodehydration upon heating KABUSHIKI KAISHA TOSHIBA (JP) 2000-12-12 US disclosed
EP-1045284-A1 Heat developing method for heat developable image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-10-18 EP disclosed
EP-1041434-A1 Heat-developable photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 2000-10-04 EP disclosed
EP-1020760-A2 Heat developable image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-07-19 EP disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed