SCHEMBL5043163

SCHEMBL5043163

C=CC(=O)OCCCCCCOc1ccc(CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ THRB P10828 3/20 0.58
▸ HTT P42858 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GAA P10253 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.40

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
SCHEMBL18873597 0.91 THRB (0.55) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL17791310 0.91 THRB (0.62) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL8088145 0.89 HTT (0.48) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL28297899 0.89 THRB (0.60) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL5045656 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL26120483 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL19220424 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL20251281 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL12172633 0.87 TSHR (0.63) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL13289971 0.87 TSHR (0.63) TSHRALDH1A1CYP3A4THRBHTT

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
US-7419620-B2 Dichroic mixtures ROLIC LTD C/O ROLIC TECHNOLOGIES LTD (CH) 2008-09-02 — — US disclosed
EP-1385914-B1 DICHROIC MIXTURE ROLIC AG (CH) 2008-07-23 — — EP disclosed
US-20040164272-A1 Dichoric mixture ROLIC AG (CH) 2004-08-26 — — US disclosed
EP-1154981-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2004-07-21 — — EP disclosed
EP-1385914-A1 DICHROIC MIXTURE Rolic AG (CH) 2004-02-04 — — EP disclosed
US-6676851-B1 LOW MELTING, GOOD ALIGNMENT ARYL BRANCHED ETHER-ESTER LINKED DIACRYLATES; REMAIN STABLE DURING COATING AND CROSSLINKING ROLIC AG (CH) 2004-01-13 — — US disclosed
WO-2002090447-A1 DICHROIC MIXTURE ROLIC AG (CH) 2002-11-14 — — WO disclosed
EP-1256602-A1 Dichroic mixture Rolic AG (CH) 2002-11-13 — — EP disclosed
EP-1154981-A1 LIQUID CRYSTAL COMPOUNDS Rolic AG (CH) 2001-11-21 — — EP disclosed
WO-2000048985-A1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2000-08-24 — — WO disclosed
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