SCHEMBL4579858

SCHEMBL4579858

C=CNC(=O)NCCO

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
SCHEMBL4579852 0.80
SCHEMBL28597748 0.78
SCHEMBL194006 0.78 ALDH1A1 (0.52)
SCHEMBL8017389 0.78 CNR1 (0.43)
SCHEMBL4577617 0.76 TSHR (0.45)
SCHEMBL20049006 0.75
SCHEMBL24138232 0.75 TSHR (0.50)
SCHEMBL28428752 0.75 EPHX1 (0.59)
SCHEMBL28461098 0.75 ALDH1A1 (0.44)
SCHEMBL988393 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP claimed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US claimed
EP-2856218-A1 FULLY POLYMERIZED UV BLOCKING SILICONE HYDROGEL LENS Bausch & Lomb Incorporated (US) 2015-04-08 EP disclosed
CN-104380148-A Fully polymerized UV blocking silicone hydrogel lens BAUSCH & LOMB 2015-02-25 CN disclosed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
WO-2013177008-A1 FULLY POLYMERIZED UV BLOCKING SILICONE HYDROGEL LENS BAUSCH & LOMB INCORPORATED (US) 2013-11-28 WO disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO disclosed