SCHEMBL4451600

SCHEMBL4451600

CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.[Pd]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CPA1 P15085 5/20 0.57
CPA3 P15088 3/20 0.57
FOLH1 Q04609 1/20 0.57
CPB1 P15086 1/20 0.57
CPB2 Q96IY4 1/20 0.57
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
SLC15A1 P46059 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
LTA4H P09960 2/20 0.51
MME P08473 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL4724923 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL107422 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL40705 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL29865739 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL2588080 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL497369 0.98 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL28912638 0.96 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
Chloroform SCHEMBL29063596 0.94 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL21895912 0.88 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL11634382 0.88 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491859-B2 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY (US) 2009-02-17 US disclosed
US-7057082-B2 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY (US) 2006-06-06 US disclosed
US-20060084832-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein DRENT EIT 2006-04-20 US disclosed
US-20040242949-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein DRENT EIT (NL) 2004-12-02 US disclosed
US-6794553-B2 LIGANDS CONTAINING PHOSPHINE, ARSINE OR STIBINE GROUPS, SUCH AS 1,3-BIS(DIETHYLPHOSPHINO)-PROPANE; NOVEL LIGANDS SUCH AS 1,3-BIS-(1,5- OR 1,4-CYCLOOCTYLENE-PHOSPHINO)-PROPANE; FORMING 1-OCTENE FROM 1,3-BUTADIENE SHELL OIL COMPANY 2004-09-21 US disclosed
EP-1444176-A2 BIDENTATE LIGAND FOR THE TELOMERIZATION OF DIENES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-08-11 EP disclosed
US-20030130544-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY 2003-07-10 US disclosed
WO-2003040065-A2 BIDENTATE LIGAND FOR THE TELOMERIZATION OF DIENES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2003-05-15 WO disclosed