SCHEMBL461629

SCHEMBL461629

C=CCNC([O])C=C

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
SCHEMBL4552218 0.72
SCHEMBL17541825 0.72
SCHEMBL5612155 0.71 ALDH1A1 (0.31)
SCHEMBL3763913 0.69
SCHEMBL15676669 0.69
SCHEMBL2185408 0.67
SCHEMBL5134648 0.67 ALDH1A1 (0.30)
SCHEMBL1916567 0.67
SCHEMBL3593911 0.67
SCHEMBL11565615 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865968-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 WO claimed
EP-2437854-B1 COMPOSITIONS COMPRISING BORINIC ESTERS COLGATE PALMOLIVE CO (US) 2018-08-08 EP disclosed
US-8852559-B2 Borinic compositions COLGATE-PALMOLIVE COMPANY (US) 2014-10-07 US disclosed
EP-2437855-A2 BORINIC COMPOSITIONS Colgate-Palmolive Company (US) 2012-04-11 EP disclosed
EP-2437854-A2 BORINIC COMPOSITIONS Colgate-Palmolive Company (US) 2012-04-11 EP disclosed
US-20120064017-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-15 US disclosed
US-20120052025-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-01 US disclosed
WO-2010141693-A2 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2010-12-09 WO disclosed
WO-2010141694-A2 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2010-12-09 WO disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US disclosed
EP-1865968-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed