SCHEMBL5499429

SCHEMBL5499429

[C]1CCCC2CC3CC=CC=C3C=C12

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
SCHEMBL142906 0.78
SCHEMBL3288441 0.73
SCHEMBL61121 0.72
SCHEMBL30286384 0.72
SCHEMBL29536905 0.71
SCHEMBL11703790 0.71
SCHEMBL708992 0.71
SCHEMBL7751750 0.70
SCHEMBL5242459 0.70
Hydrochloric Acid SCHEMBL29935533 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751169-B1 BRIDGED BI-AROMATIC CATALYSTS, COMPLEXES, AND METHOD OF USING THE SAME SYMYX SOLUTIONS INC (US) 2016-04-13 EP claimed
EP-1751169-A1 BRIDGED BI-AROMATIC CATALYSTS, COMPLEXES, AND METHOD OF USING THE SAME Symyx Technologies, Inc. (US) 2007-02-14 EP claimed
WO-2005108406-A1 BRIDGED BI-AROMATIC CATALYSTS, COMPLEXES, AND METHOD OF USING THE SAME SYMYX TECNOLOGIES, INC (US) 2005-11-17 WO claimed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP claimed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US claimed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US claimed
EP-1751169-B1 BRIDGED BI-AROMATIC CATALYSTS, COMPLEXES, AND METHOD OF USING THE SAME SYMYX SOLUTIONS INC (US) 2016-04-13 EP disclosed
CN-102503903-A HIV inhibiting 1,2,4-triazines JANSSEN PHARMACEUTICA NV 2012-06-20 CN disclosed
US-7241714-B2 Bridged bi-aromatic catalysts, complexes, and methods of using the same SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 US disclosed
EP-1751169-A1 BRIDGED BI-AROMATIC CATALYSTS, COMPLEXES, AND METHOD OF USING THE SAME Symyx Technologies, Inc. (US) 2007-02-14 EP disclosed
US-20060205588-A1 Bridged bi-aromatic catalysts, complexes, and methods of using the same SYMYX TECHNOLOGIES, INC. (US) 2006-09-14 US disclosed
US-7091292-B2 Bridged bi-aromatic catalysts, complexes, and methods of using the same SYMYX TECHNOLOGIES, INC. (US) 2006-08-15 US disclosed
US-7060848-B2 Bridged bi-aromatic catalysts, complexes, and methods of using the same SYMYX TECHNOLOGIES, INC. (US) 2006-06-13 US disclosed
WO-1996018660-A1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT NON-AROMATIC ANIONIC DIENYL-CONTAINING GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-06-20 WO disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed