SCHEMBL8002578

SCHEMBL8002578

CC1=CCC(I)C=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
SCHEMBL18593275 1.00
SCHEMBL24224362 0.72
SCHEMBL790571 0.72
SCHEMBL9067079 0.72
SCHEMBL18506326 0.70
SCHEMBL8014906 0.70
SCHEMBL7944163 0.70
SCHEMBL10305260 0.70
SCHEMBL17506948 0.70
SCHEMBL14730590 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9991452-B2 Condensed-cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-05 US disclosed
WO-2017156071-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
EP-2599778-A1 Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity Theravance Inc (US) 2013-06-05 EP disclosed
EP-2592078-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities Almirall, S.A. (ES) 2013-05-15 EP disclosed
EP-2555270-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-02-06 EP disclosed
EP-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed
EP-1872943-B1 Photosensitive composition and planographic printing plate base using same FUJIFILM CORP (JP) 2009-08-12 EP disclosed
EP-1964561-A1 Inhibitors of IMPDH enzyme Vertex Pharmaceuticals Incorporated (US) 2008-09-03 EP disclosed
WO-2008003861-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2008-01-10 WO disclosed