SCHEMBL4965509

SCHEMBL4965509

CC(N=C=O)OC(=O)C(CCCCN=C=O)N=C=O

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
SCHEMBL21891760 0.95
SCHEMBL1626609 0.86
SCHEMBL129773 0.83 ZDHHC7 (0.33)
SCHEMBL12865865 0.83 ZDHHC7 (0.33)
SCHEMBL1271467 0.83
SCHEMBL23794918 0.82 CPB2 (0.33)
SCHEMBL1173908 0.82 CPB2 (0.33)
SCHEMBL11506744 0.82 ZDHHC7 (0.36)
SCHEMBL30943445 0.82 CPB2 (0.33)
SCHEMBL21891819 0.81

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511814-B1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR CHEM (JP) 2008-06-25 EP claimed
US-7361698-B2 Water-based pigment inks, image recording method, and image recording system DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2008-04-22 US claimed
WO-2023085387-A1 URETHANE RESIN-FORMING COMPOSITION AND TWO-PART TYPE ADHESIVE AGENT 東ソー株式会社 2023-05-19 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2022224710-A1 METHOD FOR MANUFACTURING LAYERED BODY HAVING CLEAR LAYER, LAYERED BODY OBTAINED VIA SAID METHOD, METHOD FOR MANUFACTURING COMPOSITE COATING, COMPOSITE COATING OBTAINED VIA SAID METHOD, MOLDED BODY AND METHOD FOR MANUFACTURING SAME IN WHICH SAID COMPOSITE COATING IS USED, AND CLEAR LAYER OBTAINED FROM SAID LAYERED BODY BASFジャパン株式会社 2022-10-27 WO disclosed
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
EP-1511814-B1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR CHEM (JP) 2008-06-25 EP disclosed
US-7361698-B2 Water-based pigment inks, image recording method, and image recording system DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2008-04-22 US disclosed
EP-0912632-B1 INTERNAL MOLD RELEASE COMPOSITIONS CONTAINING PHOSPHATE ESTERS ESSILOR INT (FR) 2005-02-09 EP disclosed
US-20040198869-A1 Water-based pigment inks, image recording method, and image recording system DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2004-10-07 US disclosed
US-6033819-A FIXABLE COMPONENT HAS A MICRO PHASE SEPARATION STRUCTURE OF A LIQUID CONTINUOUS PHASE AND A DISPERSE PHASE CONTAINING A RESIN AND HAVING A GLASS TRANSITION TEMPERATURE OF NOT HIGHER THAN 20 DEGREES, CONTAINING A BLOCK OR GRAFT POLYMER FUJI XEROX CO., LTD. (JP) 2000-03-07 US disclosed
US-5962561-A FOR POLY(THIO)URETHANES ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 1999-10-05 US disclosed
EP-0167634-B1 CONTACT LENS AND PROCESS FOR ITS PRODUCTION TORAY INDUSTRIES, INC. (JP) 1989-08-09 EP disclosed