SCHEMBL3696407

SCHEMBL3696407

CN(C)c1c(C(C)(C)C)c[c]cc1C(C)(C)C

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
SCHEMBL707318 0.78 TDP1 (0.32)
SCHEMBL5376004 0.72 CA2 (0.50)
SCHEMBL5100912 0.70 KDM4E (0.33)
SCHEMBL25798864 0.70 GABRA1 (0.39)
SCHEMBL99193 0.69 CA2 (0.52)
SCHEMBL6543802 0.69 POLB (0.33)
SCHEMBL28404958 0.69 KDM4E (0.32)
SCHEMBL27895730 0.68 ALDH1A1 (0.46)
SCHEMBL3696697 0.65 MEN1 (0.31)
SCHEMBL28466608 0.65 HSPA5 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686329-B1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST JOHNSON MATTHEY PLC (GB) 2017-11-15 EP claimed
US-8940917-B2 Ruthenium complexes comprising paracyclophane and carbonyl ligands, and their use as catalyst JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2015-01-27 US claimed
US-20140155642-A1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-06-05 US claimed
EP-2686329-A1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST Johnson Matthey Public Limited Company (GB) 2014-01-22 EP claimed
CN-103492400-A Ruthenium complexes comprising paracyclophane and carbonyl ligands, and their use as catalyst JOHNSON MATTHEY PLC 2014-01-01 CN claimed
WO-2012123761-A1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-09-20 WO claimed
EP-2686329-B1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST JOHNSON MATTHEY PLC (GB) 2017-11-15 EP disclosed
US-8940917-B2 Ruthenium complexes comprising paracyclophane and carbonyl ligands, and their use as catalyst JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2015-01-27 US disclosed
US-20140155642-A1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-06-05 US disclosed
EP-2686329-A1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST Johnson Matthey Public Limited Company (GB) 2014-01-22 EP disclosed
CN-103492400-A Ruthenium complexes comprising paracyclophane and carbonyl ligands, and their use as catalyst JOHNSON MATTHEY PLC 2014-01-01 CN disclosed
WO-2012123761-A1 RUTHENIUM COMPLEXES COMPRISING PARACYCLOPHANE AND CARBONYL LIGANDS, AND THEIR USE AS CATALYST JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-09-20 WO disclosed
EP-1622918-B1 PHOSPHOLANE SALTS AND THEIR USE IN ENANTIOSELECTIVE HYDROGENATION SOLVIAS AG (CH) 2010-03-24 EP disclosed
US-7491671-B2 Phospholane salts and their use in enantioselective hydrogenation SOLVIAS AG (CH) 2009-02-17 US disclosed
US-20070015925-A1 Phospholane salts and their use in enantioselective hydrogenation SOLVIAS AG (CH) 2007-01-18 US disclosed
US-20060276643-A1 Amine-substituted diphenyldiphosphines FAURECIA SYSTEMES D'ECHAPPEMENT (FR) 2006-12-07 US disclosed
EP-1622918-A2 PHOSPHOLANE SALTS AND THEIR USE IN ENANTIOSELECTIVE HYDROGENATION Solvias AG (CH) 2006-02-08 EP disclosed
EP-1611114-A2 AMINE-SUBSTITUTED DIPHENYLDIPHOSPHINES Solvias AG (CH) 2006-01-04 EP disclosed
WO-2004098772-A2 PHOSPHOLANE SALTS AND THEIR USE IN ENANTIOSELECTIVE HYDROGENATION SOLVIAS AG (CH) 2004-11-18 WO disclosed
WO-2004089920-A2 AMINE-SUBSTITUTED DIPHENYLDIPHOSPHINES AND THE USE THEREOF IN METAL COMPLEXES FOR ASYMMETRIC SYNTHESES SOLVIAS AG (CH) 2004-10-21 WO disclosed