SCHEMBL3984459

SCHEMBL3984459

CC1=C(C)C(C)c2c(C)ccc(C)c21

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
SCHEMBL7258798 0.68 ALDH1A1 (0.35)
SCHEMBL7009732 0.65
SCHEMBL4160455 0.62 ALDH1A1 (0.44)
SCHEMBL525718 0.59
SCHEMBL449043 0.59
SCHEMBL7084328 0.59
SCHEMBL4160459 0.58 CYP1A2 (0.47)
SCHEMBL9055083 0.58 TOP2A (0.37)
Hydrochloric Acid SCHEMBL31039637 0.58
SCHEMBL2461660 0.57 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969624-B2 Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH (DE) 2015-03-03 US disclosed
EP-2057174-B1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2014-12-17 EP disclosed
US-20140058101-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions EVONIK DEGUSSA GMBH (DE) 2014-02-27 US disclosed
US-8618328-B2 Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH (DE) 2013-12-31 US disclosed
CN-101622264-B Cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH 2013-09-18 CN disclosed
US-20120245348-A1 New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions PLENIO HERBERT (DE) 2012-09-27 US disclosed
CN-101622264-A Novel cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions EVONIK DEGUSSA GMBH 2010-01-06 CN disclosed
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2009-10-08 US disclosed
EP-2057174-A1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS Evonik Degussa GmbH (DE) 2009-05-13 EP disclosed
WO-2008025673-A1 NEW CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2008-03-06 WO disclosed
EP-1894938-A1 New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions Evonik Degussa GmbH (DE) 2008-03-05 EP disclosed
EP-0707013-B1 CATALYST FOR PRODUCING STYRENE POLYMER AND PROCESS FOR PRODUCING STYRENE POLYMER USING THE SAME IDEMITSU KOSAN CO (JP) 1999-11-24 EP disclosed
US-5747614-A Catalyst for producing sytrenic polymer and process for producing sytrenic polymer by using same IDEMITSU KOSAN CO., LTD. (JP) 1998-05-05 US disclosed
EP-0707013-A1 CATALYST FOR PRODUCING STYRENE POLYMER AND PROCESS FOR PRODUCING STYRENE POLYMER USING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-04-17 EP disclosed