SCHEMBL9752483

SCHEMBL9752483

C=CCCCC(OOC(CCCC=C)C(C)(C)CC)C(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9752690 0.88 TSHR (0.33) TSHRALDH1A1
SCHEMBL9752653 0.82 TSHR (0.37) TSHRALDH1A1
SCHEMBL9752477 0.75
SCHEMBL9752434 0.69 TSHR (0.32) TSHR
SCHEMBL8441962 0.67 TSHR (0.34) TSHRALDH1A1
SCHEMBL9750829 0.64 CA2 (0.33) ALDH1A1
SCHEMBL1942595 0.63 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL28874774 0.63 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL28446475 0.63
SCHEMBL19053600 0.63 TSHR (0.39) TSHRALDH1A1

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO claimed
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed