SCHEMBL8448405

SCHEMBL8448405

C=C(C)C(=O)OCOC(=O)OCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.46
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
HCAR2 Q8TDS4 1/20 0.37
RECQL P46063 1/20 0.36
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8452089 0.93 TSHR (0.74) TSHRALDH1A1THRBTDP1POLB
SCHEMBL8400045 0.91 TSHR (0.75) TSHRALDH1A1THRBHPGDATM
SCHEMBL8598156 0.89 TSHR (0.72) TSHRALDH1A1THRBHPGDATM
SCHEMBL5438432 0.85 THRB (0.57) TSHRALDH1A1THRBTDP1POLB
SCHEMBL19066401 0.85 TSHR (0.84) TSHRALDH1A1THRBHPGDATM
SCHEMBL14893 0.85 TSHR (0.84) TSHRALDH1A1THRBHPGDATM
SCHEMBL11583525 0.85 TSHR (0.84) TSHRALDH1A1THRBHPGDATM
SCHEMBL8452792 0.84 TSHR (0.52) TSHRALDH1A1THRBTDP1POLB
SCHEMBL13465905 0.84 ALDH1A1 (0.58) TSHRALDH1A1HPGDATMTDP1
Decane SCHEMBL5401080 0.83 TSHR (0.74) TSHRALDH1A1THRBTDP1POLB

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-1993017718-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 1993-09-16 WO disclosed
WO-1993018070-A1 CHEMICAL COMPOUNDS NYCOMED IMAGING AS (NO) 1993-09-16 WO disclosed