SCHEMBL4543076

SCHEMBL4543076

C=C/C=C/C=C/C=C/C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
GLA P06280 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4109881 1.00
SCHEMBL4109879 1.00
SCHEMBL4543079 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTHPOGLATDP1
SCHEMBL14071708 1.00
SCHEMBL6359403 0.88
SCHEMBL6359402 0.88
SCHEMBL28995878 0.86
SCHEMBL28995928 0.83
SCHEMBL820895 0.82 TSHR (0.46) ALDH1A1TSHRTHPOGLATDP1
SCHEMBL11784960 0.82 TSHR (0.46) ALDH1A1TSHRTHPOGLATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed