SCHEMBL12822305

SCHEMBL12822305

CC(C)C(CCO)(CCO)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21899638 0.81 SMN1; SMN2 (0.38) TSHRALDH1A1TDP1
SCHEMBL5085395 0.78 TDP1 (0.37) TSHRALDH1A1TDP1
SCHEMBL17464921 0.75 TSHR (0.37) TSHRTDP1
SCHEMBL3621633 0.72 TSHR (0.47) TSHRALDH1A1CYP2C19TDP1
SCHEMBL10883474 0.71 TDP1 (0.32) TSHRTDP1
SCHEMBL28823887 0.71 ALDH1A1 (0.37) TSHRALDH1A1CYP2C19TDP1
SCHEMBL13076907 0.71
SCHEMBL2151614 0.71
SCHEMBL19088294 0.69
SCHEMBL24051089 0.69

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
US-20140148564-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS AND CATALYSTS THEREFROM OBTAINED BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-05-29 US disclosed
EP-2694209-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS AND CATALYSTS THEREFROM OBTAINED Basell Poliolefine Italia S.r.l. (IT) 2014-02-12 EP disclosed
WO-2012130614-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS AND CATALYSTS THEREFROM OBTAINED BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-10-04 WO disclosed