SCHEMBL81947

SCHEMBL81947

Cc1ccc(C#N)nc1

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
SCHEMBL30404350 1.00
SCHEMBL17795213 0.83 TNF (0.48)
SCHEMBL13305097 0.80
SCHEMBL3090594 0.78
SCHEMBL2721164 0.76
SCHEMBL3082029 0.76
SCHEMBL16301306 0.74 VHL (0.49)
SCHEMBL30078552 0.74 CCR1 (0.46)
SCHEMBL12295342 0.74 CCR1 (0.46)
SCHEMBL17324161 0.74 EGLN2 (0.43)

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 1039 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240332532-A1 SECONDARY BATTERY AND ELECTRONIC APPARATUS NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2024-10-03 US claimed
EP-4439736-A1 SECONDARY BATTERY AND ELECTRONIC APPARATUS Ningde Amperex Technology Ltd. (CN) 2024-10-02 EP claimed
CN-117810534-A Electrolyte, formation method of lithium ion battery and lithium ion battery 广东省豪鹏新能源科技有限公司 2024-04-02 CN claimed
CN-117199519-A Electrolyte, preparation method and application thereof, and lithium battery 北京纳米能源与系统研究所 2023-12-08 CN claimed
CN-116053407-B Secondary battery and electronic device 宁德新能源科技有限公司 2023-06-20 CN claimed
CN-116053407-A Secondary battery and electronic device 宁德新能源科技有限公司 2023-05-02 CN claimed
CN-115362149-A SHP2 inhibitor and composition and application thereof 贝达药业股份有限公司 2022-11-18 CN claimed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP claimed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
EP-1720875-B1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-12-10 EP claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US claimed