SCHEMBL6313982

SCHEMBL6313982

C=CC(O)c1ccncn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
CYP19A1 P11511 1/20 0.35
P2RX7 Q99572 1/20 0.32
HPGDS O60760 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
SCHEMBL28055983 0.77
SCHEMBL4263709 0.76
SCHEMBL14678179 0.76 HSP90AA1 (0.40) HSP90AA1CYP19A1P2RX7
SCHEMBL7703784 0.76 HSP90AA1 (0.35) HSP90AA1CYP19A1
SCHEMBL1525815 0.73 SLC6A2 (0.45)
SCHEMBL29724050 0.73 SLC6A2 (0.45)
SCHEMBL31291331 0.72
SCHEMBL29857995 0.72
SCHEMBL644984 0.72
SCHEMBL7349683 0.70 CYP3A4 (0.41) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322518-B1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2015-02-25 EP claimed
US-6939965-B2 Process of manufacture of 1,3-oxathiolane nucleosides using titanium trichloride mono-isopropoxide GILEAD SCIENCES, INC. (US) 2005-09-06 US claimed
US-6518425-B1 A process for producing a 1,3-oxathiolane nucleoside comprising reacting a 5-halo-2-protected-oxymethyl-1,3-oxathiolane with a silylated purine or pyrimidine without the addition of a Lewis acid or an additional base to the reaction EMORY UNIVERSITY 2003-02-11 US claimed
EP-2322518-B1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed