SCHEMBL1019049

SCHEMBL1019049

CCCCCC(=O)C#N

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
SCHEMBL11199004 0.98 CES2 (0.54)
SCHEMBL6154378 0.98 CES2 (0.54)
SCHEMBL9743864 0.98 CES2 (0.54)
SCHEMBL28312201 0.98 CES2 (0.54)
SCHEMBL28626065 0.98 CES2 (0.54)
SCHEMBL6535348 0.92
SCHEMBL20751370 0.88 CES2 (0.45)
SCHEMBL9745146 0.86 TERT (0.61)
SCHEMBL19011847 0.86 TERT (0.61)
SCHEMBL8814525 0.86 TERT (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936584-B1 DISPOSABLE AUTONOMOUS THERMAL DEVICE GLOBAL TERMOBIOMASA S L (ES) 2025-08-13 EP disclosed
CN-109789384-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-06-07 CN disclosed
CN-107106469-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2021-03-12 CN disclosed
CN-107072925-B Capsule composition 奇华顿股份有限公司 2021-03-12 CN disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
US-6998402-B2 Substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-02-14 US disclosed
US-20050009822-A1 Novel substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-13 US disclosed
US-6573263-B2 For improving perception, concentration power, learning power and/ or memory power BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20020198377-A1 Substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-12-26 US disclosed
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed