SCHEMBL9689805

SCHEMBL9689805

C=CS(=O)(=O)c1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OCCC)c1OCCC

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 20/20 0.74

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
SCHEMBL9689793 1.00 PTAFR (0.74) PTAFR
SCHEMBL9689798 1.00 PTAFR (0.74) PTAFR
SCHEMBL10460496 0.92 PTAFR (0.65) PTAFR
SCHEMBL10460497 0.92 PTAFR (0.65) PTAFR
SCHEMBL10429002 0.90 PTAFR (0.63) PTAFR
SCHEMBL10429004 0.90 PTAFR (0.63) PTAFR
SCHEMBL10429003 0.90 PTAFR (0.63) PTAFR
SCHEMBL6154076 0.85 PTAFR (1.00) PTAFR
SCHEMBL6154080 0.85 PTAFR (1.00) PTAFR
SCHEMBL6154079 0.85 PTAFR (1.00) PTAFR

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-5114961-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1992-05-19 US disclosed
US-4996203-A Platelet-activating factor antagonists MERCK & CO., INC. (US) 1991-02-26 US disclosed
EP-0402150-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402151-A1 New 2, 5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
US-4977146-A ANTICOAGULANT MERCK & CO., INC. (US) 1990-12-11 US disclosed