SCHEMBL4435605

SCHEMBL4435605

CCCCC(CC)CCOC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.52
CYP3A4 P08684 6/20 0.51
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.47
CA1 P00915 1/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4434363 0.87 GPR84 (0.46) CA2CYP3A4TSHRTDP1ATM
SCHEMBL11216589 0.87 HCAR2 (0.40) CA2CYP3A4TSHRTDP1ATM
SCHEMBL28868698 0.85 CA2 (0.49) CA2CYP3A4TSHRTDP1ATM
SCHEMBL9439183 0.85 ALDH1A1 (0.57) CA2CYP3A4TSHRTDP1ATM
SCHEMBL28399409 0.83 NAAA (0.55) CA2CYP3A4TSHRTDP1ATM
SCHEMBL10604822 0.82 HCAR2 (0.42) CA2CYP3A4TSHRTDP1ATM
SCHEMBL94798 0.82 CYP3A4 (0.68) CA2CYP3A4TSHRTDP1ATM
SCHEMBL23008675 0.81 CYP3A4 (0.67) CA2CYP3A4TSHRTDP1ATM
SCHEMBL28401083 0.81 CYP3A4 (0.62) CA2CYP3A4TSHRTDP1ATM
SCHEMBL3411613 0.81 CYP3A4 (0.66) CA2CYP3A4TSHRTDP1ATM

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
EP-2094641-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE Cognis IP Management GmbH (DE) 2009-09-02 EP claimed
WO-2008067946-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE COGNIS IP MANAGEMENT GMBH (DE) 2008-06-12 WO claimed
WO-2018060018-A1 USE OF DIALKYL CARBONATES OF BRANCHED ALCOHOLS AS A DISPERSANT BASF SE (DE) 2018-04-05 WO disclosed
EP-3300715-A1 USE OF DIALKYLCARBONATES OF BRANCHED ALCOHOLS AS DISPERSION AGET BASF SE (DE) 2018-04-04 EP disclosed
EP-2094641-B1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE COGNIS IP MAN GMBH (DE) 2014-06-18 EP disclosed
EP-2094641-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE Cognis IP Management GmbH (DE) 2009-09-02 EP disclosed
WO-2008067946-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE COGNIS IP MANAGEMENT GMBH (DE) 2008-06-12 WO disclosed
EP-1930311-A1 Dialkylcarbonates of branched alcohols and their use Cognis IP Management GmbH (DE) 2008-06-11 EP disclosed