SCHEMBL8448581

SCHEMBL8448581

C=C(C)C(=O)OCOC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.44
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
TGFBR1 P36897 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8452792 0.89 TSHR (0.52) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL148579 0.86 TSHR (0.58) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL7759129 0.84 ALDH1A1 (0.52) ALDH1A1TSHRTHRBPOLBAPEX1
Hydrochloric Acid SCHEMBL14976774 0.84 TSHR (0.56) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL7990748 0.83 THRB (0.59) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL5438432 0.81 THRB (0.57) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL8453875 0.81 ALDH1A1 (0.54) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL12055300 0.81 SMN1; SMN2 (0.41) ALDH1A1TSHRMGAMGAASI
SCHEMBL2625617 0.79 TSHR (0.52) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL285496 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627942-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1999-09-15 EP disclosed
US-5795562-A BIODEGRADABLE POLYMER AS CONTRAST AGENTS FOR DIAGNOSTIC IMAGING NYCOMED IMAGING AS (NO) 1998-08-18 US disclosed
US-5676925-A USING POLYESTER OR ACRYLATE POLYMERS NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5674468-A A BIODEGRADABLE POLYESTER; USEFUL IN DIAGNOSTIC APPLICATIONS SUCH AS ULTRASOUND AND MAGNETIC RESONANCE IMAGING NYCOMED IMAGING AS (NO) 1997-10-07 US disclosed
US-5574097-A NONCROSSLINKED POLYMERS WITH BIODEGRADABLE LIPOPHILIC SIDE CHAINS INCORPORATING METHYLENE DIESTER UNITS, CLEAVABLE TO YIELD A WATER SOLUBLE POLYMER NYCOMED IMAGING AS (NO) 1996-11-12 US disclosed
EP-0629214-B1 CHEMICAL COMPOUNDS NYCOMED IMAGING AS (NO) 1996-10-23 EP disclosed
EP-0629214-A1 CHEMICAL COMPOUNDS. NYCOMED IMAGING AS (NO) 1994-12-21 EP disclosed
EP-0627942-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-12-14 EP disclosed
WO-1993018070-A1 CHEMICAL COMPOUNDS NYCOMED IMAGING AS (NO) 1993-09-16 WO disclosed
WO-1993017718-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 1993-09-16 WO disclosed