SCHEMBL9450814

SCHEMBL9450814

C=CCC(C)(CC)C(CC=C)(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL218560 0.78 TSHR (0.35) ALDH1A1TSHR
SCHEMBL1717016 0.72 TSHR (0.41) ALDH1A1TSHRHTT
SCHEMBL8043548 0.71 TSHR (0.38) ALDH1A1TSHR
SCHEMBL8846265 0.70 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL11131461 0.70 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL7252450 0.70 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL1716936 0.70 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL293485 0.69
SCHEMBL528085 0.69 TSHR (0.42) ALDH1A1TSHRHTT
SCHEMBL11812638 0.69 TSHR (0.46) ALDH1A1TSHRHTT

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-0559874-A1 A PROCATALYST COMPOSITION CONTAINING SUBSTITUTED MALEIC OF FUMARIC ACID ESTERS AS ELECTRON DONOR FOR OLEFIN POLYMERIZATION. NESTE OY (FI) 1993-09-15 EP claimed
WO-1993007182-A1 A PROCATALYST COMPOSITION CONTAINING SUBSTITUTED MALEIC OF FUMARIC ACID ESTERS AS ELECTRON DONOR FOR OLEFIN POLYMERIZATION NESTE OY (FI) 1993-04-15 WO claimed