SCHEMBL1235699

SCHEMBL1235699

CCCCC(C=O)CC.[RbH]

nearest known ligand 0.95

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.95
SMN1; SMN2 Q16637 1/20 0.95
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 5/20 0.38
MAPK1 P28482 1/20 0.38
CTSK P43235 2/20 0.38
CA1 P00915 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 1/20 0.35
FDPS P14324 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9466751 0.97
SCHEMBL5470583 0.97
SCHEMBL15760 0.97
SCHEMBL150736 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2
Hydrochloric Acid SCHEMBL5166853 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2
SCHEMBL892491 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2
SCHEMBL7185714 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2
SCHEMBL3291107 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2
Methane SCHEMBL21143001 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2
SCHEMBL1461668 0.95 TSHR (0.95) TSHRSMN1; SMN2ALDH1A1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658188-B2 Radio-opaque bioactive glass materials Zurich, Eth (CH) 2014-02-25 US disclosed
EP-2467119-A1 RADIO-OPAQUE BIOACTIVE GLASS MATERIALS ETH Zurich (CH) 2012-06-27 EP disclosed
US-20120148646-A1 RADIO-OPAQUE BIOACTIVE GLASS MATERIALS UNIVERSITAT ZURICH (CH) 2012-06-14 US disclosed
WO-2011020204-A1 RADIO-OPAQUE BIOACTIVE GLASS MATERIALS ETH Zürich (CH) 2011-02-24 WO disclosed