SCHEMBL3790908

SCHEMBL3790908

O=C(OCCO)C(O)CCCCCCCCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.36
FFAR1 O14842 2/20 0.36
TSHR P16473 1/20 0.34
ACHE P22303 7/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL28796916 0.92 ACHE (0.41) GPR84FFAR1TSHRACHE
SCHEMBL3790426 0.86 GPR84 (0.55) GPR84FFAR1ACHEFFAR4
SCHEMBL957003 0.86 GPR84 (0.55) GPR84FFAR1ACHEFFAR4
SCHEMBL822393 0.86 GPR84 (0.55) GPR84FFAR1ACHEFFAR4
SCHEMBL13658517 0.86 GPR84 (0.55) GPR84FFAR1ACHEFFAR4
SCHEMBL28110218 0.85 ACHE (0.38) TSHRACHE
SCHEMBL821842 0.84 GPR84 (0.52) GPR84FFAR1ACHEFFAR4
Ethylene SCHEMBL299575 0.83 GPR84 (0.52) GPR84FFAR1TSHRACHEFFAR4
SCHEMBL442923 0.83 GPR84 (0.52) GPR84FFAR1TSHRACHE
SCHEMBL16275126 0.83 GPR84 (0.52) GPR84FFAR1TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252967-A1 POLYURETHANES GRAINS RESEARCH AND DEVELOPMENT CORPORATION (AU) 2012-10-04 US disclosed
US-20120252967-A1 POLYURETHANES GRAINS RESEARCH AND DEVELOPMENT CORPORATION (AU) 2012-10-04 US disclosed
US-20120252967-A1 POLYURETHANES GRAINS RESEARCH AND DEVELOPMENT CORPORATION (AU) 2012-10-04 US disclosed
EP-2265654-A1 POLYURETHANES Commonwealth Scientific and Industrial Research Organisation (AU) 2010-12-29 EP disclosed
WO-2009127012-A1 POLYURETHANES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-22 WO disclosed
WO-2009127012-A1 POLYURETHANES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-22 WO disclosed