SCHEMBL6378583

SCHEMBL6378583

CC(=O)OCOC(COCc1ccccc1)COC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SLC1A1 P43005 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TBXAS1 P24557 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL3413225 0.97 ALDH1A1 (0.57) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL2437269 0.94 ALDH1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9191601 0.92 ALDH1A1 (0.51) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL8196611 0.91 TDP1 (0.50) ALDH1A1SLC1A1SMN1; SMN2TBXAS1
SCHEMBL9019803 0.91 ALDH1A1 (0.50) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9019848 0.90 ALDH1A1 (0.47) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL6840164 0.89 ALDH1A1 (0.51) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL14125262 0.89 ALDH1A1 (0.51) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9197596 0.89 ALDH1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL24827422 0.85 ALDH1A1 (0.57) ALDH1A1SLC1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882050-B2 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-05-04 EP claimed
EP-0882050-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-08-28 EP claimed
US-6040446-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-03-21 US claimed
EP-0882050-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP claimed
WO-1997027198-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO claimed
EP-0882050-B2 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-05-04 EP disclosed
EP-0882050-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
US-6340756-B1 VIRICIDES SYNTEX (U.S.A.) INC. 2002-01-22 US disclosed
US-6218568-B1 REACTING 1-ARALKYLOXY-3-HALO-2-PROPANOL WITH METHOXYMETHYL ALKANOATE IN APROTIC SOLVENT IN THE PRESENCE OF A CATALYST TO PRODUCE 1-ARALKYLOXY-3-HALO-2-(ALKANOYLOXY)METHOXYPROPANE AND TREATING THE PRODUCT WITH ALKALI METAL ALKANOATE SYNTEX (U.S.A.) INC. 2001-04-17 US disclosed
US-6215017-B1 1-ARALKYLOXY-3-ACYLOXY-2-(ACYLOXY)METHOXYPROPANE DERIVATIVE; CHEMICAL INTERMEDIATES FOR VIRICIDE GANCICLOVIR SYNTEX (U.S.A.) INC. 2001-04-10 US disclosed
US-6040446-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-03-21 US disclosed
EP-0882050-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed
WO-1997027198-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed