SCHEMBL3170076

SCHEMBL3170076

[CH]=CC(C)(CC)CC

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
SCHEMBL1402720 0.74
SCHEMBL3556003 0.71
SCHEMBL18632355 0.69
SCHEMBL1378362 0.67
SCHEMBL4620966 0.64
SCHEMBL270156 0.64
SCHEMBL276453 0.64
SCHEMBL3051104 0.64
SCHEMBL3682666 0.64
SCHEMBL18632248 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-01-21 US disclosed
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
US-7521556-B2 1,6,9,14-tetrasubstituted terrylene tetracarboxylic acid diimides BASF SE (DE) 2009-04-21 US disclosed
EP-1513841-B1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF SE (DE) 2008-05-14 EP disclosed
US-20050222416-A1 1,6,9,14-teltrasubstituted terrylene tetracarboxylic diimides BASF AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
EP-1513841-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-03-16 EP disclosed
WO-2003104232-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-12-18 WO disclosed
US-6184378-B1 PIGMENTS, LASER DYES AND PRECURSORS FOR PREPARING FLUORESCENT DYES, POLYMERIC COLORANTS, BASF AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
EP-0869959-B1 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS BASF AG (DE) 2000-05-17 EP disclosed
US-6063181-A 1,7-disubstituted perylene-3,4,9, 10-tetracarboxylic acids, their dianhydrides and diimides of said acids BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
EP-0869959-A1 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS BASF AKTIENGESELLSCHAFT (DE) 1998-10-14 EP disclosed
WO-1997022608-A1 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO disclosed