SCHEMBL668925

SCHEMBL668925

C=C[CH]O[14CH3]

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
SCHEMBL9806538 0.58
SCHEMBL667876 0.58
SCHEMBL2427181 0.58
SCHEMBL7173646 0.58
SCHEMBL169060 0.58
SCHEMBL175597 0.58
SCHEMBL925480 0.58
Butadiene SCHEMBL461643 0.52
Butadiene SCHEMBL11480793 0.52 TRPA1 (0.44)
Butadiene SCHEMBL10457929 0.52 TRPA1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150583-B2 Furo[3,4-c]quinoline derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US claimed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US claimed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP claimed
EP-2760868-A1 FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2014-08-06 EP claimed
EP-2675811-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2013-12-25 EP claimed
US-20130210850-A1 Furo[3,4-c]quinoline derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US claimed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US claimed
WO-2013024130-A1 FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-21 WO claimed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP claimed
WO-2012110599-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 WO claimed
US-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US claimed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US claimed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO claimed
EP-2760868-B1 FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2018-04-25 EP disclosed
US-9150583-B2 Furo[3,4-c]quinoline derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP disclosed