SCHEMBL8488294

SCHEMBL8488294

COC(CC(=O)OCOC(=O)CC(OC)OC)OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 4/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
MGAM O43451 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
PRKCA P17252 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1873215 0.85 GAA (0.50) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1876364 0.83 NAAA (0.39) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1880735 0.81 TSHR (0.42) TSHRALDH1A1TDP1GAAPRKCA
SCHEMBL28378728 0.81 ALDH1A1 (0.38) TSHRALDH1A1GAAHTTRECQL
SCHEMBL99435 0.81 TSHR (0.48) TSHRALDH1A1CYP3A4GAAHTT
SCHEMBL19399320 0.80
SCHEMBL13502967 0.79 TSHR (0.33) TSHRGAAHTTRECQLHSD17B10
SCHEMBL27984925 0.79 TSHR (0.46) TSHRALDH1A1CYP3A4GAAHTT
SCHEMBL1879588 0.78 NAAA (0.48) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL1881180 0.75 LMNA (0.42) TSHRALDH1A1GAAHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919753-A Cross-linking agent NYCOMED IMAGING AS (NO) 1999-07-06 US disclosed
US-5693321-A Polymers containing diester units NYCOMED IMAGING AS (NO) 1997-12-02 US disclosed
US-5534250-A METHYLENE DIESTER GROUPS, BIODEGRADABLE NYCOMED IMAGING AS (NO) 1996-07-09 US disclosed
EP-0547126-B1 BIODEGRADABLE POLYMERS CONTAINING DIESTER UNITS NYCOMED IMAGING AS (NO) 1996-02-28 EP disclosed
EP-0547126-A1 POLYMERS CONTAINING DIESTER UNITS. NYCOMED IMAGING AS (NO) 1993-06-23 EP disclosed
WO-1992004392-A1 POLYMERS CONTAINING DIESTER UNITS HOLMES, MICHAEL, JOHN (GB) 1992-03-19 WO disclosed