SCHEMBL2197189

SCHEMBL2197189

O=C1[CH]CCC=C1

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
SCHEMBL1335595 0.83
SCHEMBL11206389 0.80 ALDH1A1 (0.48)
SCHEMBL11207122 0.80 ALDH1A1 (0.48)
SCHEMBL6364430 0.75
SCHEMBL12158699 0.73
SCHEMBL11207382 0.71 ALDH1A1 (0.52)
SCHEMBL11207400 0.71 ALDH1A1 (0.52)
SCHEMBL6625852 0.71
SCHEMBL11256911 0.67 ALDH1A1 (0.42)
SCHEMBL11256922 0.67 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US claimed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US claimed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP claimed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO claimed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
WO-2016197900-A1 PROCESS FOR PREPARING MESOTRIONE ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (CN) 2016-12-15 WO disclosed
US-20160318897-A1 AZOLE COMPOUNDS CARRYING AN IMINE-DERIVED SUBSTITUENT BASF SE (DE) 2016-11-03 US disclosed
EP-3083596-A1 AZOLE COMPOUNDS CARRYING AN IMINE-DERIVED SUBSTITUENT BASF SE (DE) 2016-10-26 EP disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
WO-2015091645-A1 AZOLE COMPOUNDS CARRYING AN IMINE-DERIVED SUBSTITUENT BASF SE (DE) 2015-06-25 WO disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US disclosed
US-20060058380-A1 Novel aminobenzophenone compounds OTTOSEN ERIK R 2006-03-16 US disclosed
EP-1583735-A2 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2005-10-12 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO disclosed
WO-2004056762-A2 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2004-07-08 WO disclosed
EP-1423356-A2 NOVEL AMINOBENZOEPHENONES Leo Pharma A/S (DK) 2004-06-02 EP disclosed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US disclosed
WO-2003018535-A2 NOVEL AMINOBENZOEPHENONES LEO PHARMA A/S (DK) 2003-03-06 WO disclosed