SCHEMBL8694497

SCHEMBL8694497

COc1ccc(CCCCCCCCOc2ccc(CO)nc2C=CC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.75

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
SCHEMBL8757578 1.00 LTB4R (0.75) LTB4R
Hydrochloric Acid SCHEMBL8698525 0.99 LTB4R (0.74) LTB4R
SCHEMBL8430450 0.91 LTB4R (0.74) LTB4R
SCHEMBL8757554 0.91 LTB4R (0.63) LTB4R
Hydrochloric Acid SCHEMBL8697558 0.90 LTB4R (0.62) LTB4R
SCHEMBL8431784 0.90 LTB4R (0.73) LTB4R
SCHEMBL8862092 0.89 LTB4R (0.77) LTB4R
SCHEMBL8699765 0.89 LTB4R (0.61) LTB4R
SCHEMBL9545810 0.89 LTB4R (0.78) LTB4R
SCHEMBL9545811 0.89 LTB4R (0.78) LTB4R

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
US-5646286-A Palladium catalyzed vinylic substitution reactions with 2-substituted-pyridines SMITHKLINE BEECHAM PLC (GB) 1997-07-08 US claimed
EP-0705249-B1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP claimed
WO-1995000487-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO claimed
US-5726315-A Certain 3-hydroxy-6-hydroxymethyl-pyridine intermediates SMITHKLINE BEECHAM PLC (GB) 1998-03-10 US disclosed
US-5646286-A Palladium catalyzed vinylic substitution reactions with 2-substituted-pyridines SMITHKLINE BEECHAM PLC (GB) 1997-07-08 US disclosed
EP-0705249-B1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
EP-0705249-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
WO-1995000487-A1 PALLADIUM CATALYZED VINYLIC SUBSTITUTION REACTIONS WITH 2-SUBSTITUTED-PYRIDINES SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed