SCHEMBL6053702

SCHEMBL6053702

CCCC1=C(CCC)CC=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
SCHEMBL5362721 1.00
SCHEMBL28051737 0.89
SCHEMBL6911377 0.89
SCHEMBL6053821 0.88
SCHEMBL6912435 0.88
SCHEMBL6914889 0.86 SCD (0.38)
SCHEMBL6911099 0.86 SCD (0.38)
SCHEMBL6285902 0.82
SCHEMBL5364951 0.82
SCHEMBL8156741 0.80 SCD (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
EP-1629018-A1 CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE Univation Technologies LLC (US) 2006-03-01 EP disclosed
US-6911508-B2 Class of metallocenes and method of producing polyethylene UNIVATION TECHNOLOGIES, LLC (US) 2005-06-28 US disclosed
US-6849753-B2 Process for preparation of half-vanadocene compound NICHIA CORPORATION (JP) 2005-02-01 US disclosed
WO-2004108771-A1 CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE UNIVATION TECHNOLOGIES, LLC (US) 2004-12-16 WO disclosed
US-20040249096-A1 Class of metallocenes and method of producing polyethylene EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-09 US disclosed
EP-1312610-B1 Process for preparation of half-vanadocene compound NICHIA CORP (JP) 2004-09-08 EP disclosed
US-20030109733-A1 Process for preparation of half-vanadocene compound UBE INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
CN-1420118-A Method for preparing semi-cyclopentadienyl vanadium NICHIA KAGAKU KOGYO KK (JP) 2003-05-28 CN disclosed
EP-1312610-A1 Process for preparation of half-vanadocene compound Nichia Corporation (JP) 2003-05-21 EP disclosed