SCHEMBL3885353

SCHEMBL3885353

C[CH]CCC(CC)CCC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL3889274 0.86
SCHEMBL3898136 0.85 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3884491 0.85 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28277714 0.83 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28161676 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL377895 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28154762 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28154741 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28271647 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28153776 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149584-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF AKTIENGESELLSCHAFT (DE) 2009-06-11 US disclosed
CN-101426843-A Use of hexahydrophthalimide combinations as softener BASF SE (DE) 2009-05-06 CN disclosed
EP-2013278-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2009-01-14 EP disclosed
WO-2008006834-A2 USE OF IMIDAZOLE COMPOUNDS AS PLASTICISERS BASF SE (DE) 2008-01-17 WO disclosed
WO-2007122204-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2007-11-01 WO disclosed