SCHEMBL1705171

SCHEMBL1705171

C1COCO1.C1COCO1.CC(=O)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 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
Oxirane SCHEMBL8581231 0.91 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL28288392 0.90 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
Dioxane SCHEMBL9508711 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
Acetone SCHEMBL4989243 0.82 — —
Acetic Acid SCHEMBL1704981 0.79 — —
Fluoride SCHEMBL27342145 0.78 — —
Tetrahydrofuran SCHEMBL4337006 0.78 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
Tetrahydrofuran SCHEMBL1938419 0.78 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
Ethyl Acetate SCHEMBL28471771 0.75 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10
SCHEMBL9866292 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525309-B1 STABILISATION OF NUCLEIC ACIDS CYCLOPS GENOME SCIENCES LTD (GB) 2012-04-18 — — EP disclosed
EP-1525309-A2 STABILISATION OF NUCLEIC ACIDS CYCLOPS GENOME SCIENCES LIMITED (GB) 2005-04-27 — — EP disclosed
WO-2004013155-A2 STABILISATION OF NUCLEIC ACIDS CYCLOPS GENOME SCIENCES LIMITED (GB) 2004-02-12 — — WO disclosed
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