SCHEMBL3552682

SCHEMBL3552682

COC(=O)C1(C#N)CC1

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
SCHEMBL100849 0.91 NPSR1 (0.45)
SCHEMBL5551911 0.91 NPSR1 (0.41)
SCHEMBL14859472 0.89 NPSR1 (0.44)
SCHEMBL18871066 0.89 NPSR1 (0.44)
SCHEMBL1192865 0.86 CYP3A4 (0.42)
SCHEMBL17150402 0.86 KDM4E (0.40)
SCHEMBL24710918 0.85 KMT2A (0.34)
SCHEMBL15166873 0.84 LMNA (0.33)
SCHEMBL23220024 0.84 DPP4 (0.36)
Hydrochloric Acid SCHEMBL16335569 0.84 KDM4E (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
EP-2781519-B1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME ST PHARM CO LTD (KR) 2019-10-30 EP disclosed
US-9595734-B2 Non-aqueous liquid electrolyte for secondary battery and secondary battery FUJIFILM CORPORATION (JP) 2017-03-14 US disclosed
US-9595734-B2 Non-aqueous liquid electrolyte for secondary battery and secondary battery FUJIFILM CORPORATION (JP) 2017-03-14 US disclosed
US-9499537-B2 Antiviral pyrrolopyridine derivatives and method for preparing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-11-22 US disclosed
US-9499537-B2 Antiviral pyrrolopyridine derivatives and method for preparing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-11-22 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
EP-2781519-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME Korea Research Institute of Chemical Technology (KR) 2014-09-24 EP disclosed
EP-2781519-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME Korea Research Institute of Chemical Technology (KR) 2014-09-24 EP disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
EP-2102167-A2 SUBSTITUTED ARYLPYRAZOLES Pfizer Limited (GB) 2009-09-23 EP disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
EP-0148004-A2 Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1985-07-10 EP disclosed