SCHEMBL8710941

SCHEMBL8710941

C=CC(=O)OCCO.OCC(CO)(CO)CO

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.79
▸ ALDH1A1 P00352 4/20 0.64
▸ TP53 P04637 3/20 0.64
▸ HIF1A Q16665 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.54
▸ THRB P10828 2/20 0.49
▸ HPGD P15428 1/20 0.48

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
SCHEMBL14875 0.89 — —
SCHEMBL21630258 0.89 TSHR (1.00) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30363554 0.89 TSHR (1.00) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9722091 0.89 TSHR (0.68) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL10533422 0.87 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Water SCHEMBL3297890 0.87 — —
Ethylene SCHEMBL8852464 0.87 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL259312 0.87 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL10530464 0.87 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL10667001 0.87 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566353-B1 Photopolymerizable composition MITSUBISHI RAYON CO (JP) 1998-08-19 — — EP disclosed
EP-0566353-A1 Photopolymerizable composition MITSUBISHI RAYON COMPANY LTD. (JP) 1993-10-20 — — EP disclosed
Send feedback