SCHEMBL11229776

SCHEMBL11229776

CCCCOC(CCC)(OCCCC)O[PH](=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL11259404 0.85 CYP3A4 (0.35) CYP3A4ALDH1A1
SCHEMBL9239983 0.82 TSHR (0.35) CYP3A4ALDH1A1
SCHEMBL8404973 0.77 CYP3A4 (0.40) CYP3A4ALDH1A1ATM
SCHEMBL5430404 0.77 ALDH1A1 (0.34) CYP3A4ALDH1A1ATM
SCHEMBL9239975 0.77 ALDH1A1 (0.34) CYP3A4ALDH1A1ATM
SCHEMBL37349 0.71 GGPS1 (0.32)
SCHEMBL7026139 0.70 ADRB2 (0.41) CYP3A4ALDH1A1ATM
SCHEMBL11341766 0.70 GGPS1 (0.34) ALDH1A1
SCHEMBL11012630 0.70 CYP3A4 (0.34) CYP3A4
SCHEMBL3337106 0.70 CYP3A4 (0.34) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360647-A Phosphonate terminated dicyclopentadiene modified polyesters THE DOW CHEMICAL COMPANY (US) 1982-11-23 US claimed
US-4363907-A Cohalogenation process for polyesters THE DOW CHEMICAL COMPANY (US) 1982-12-14 US disclosed
US-4360647-A Phosphonate terminated dicyclopentadiene modified polyesters THE DOW CHEMICAL COMPANY (US) 1982-11-23 US disclosed