SCHEMBL9752518

SCHEMBL9752518

C=C(CCC)CCCCOOC(C)(C)CCCCC

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL9149367 0.79 ADRB2 (0.33) TSHR
SCHEMBL9752432 0.79 TSHR (0.33) TSHR
SCHEMBL9149359 0.74 THRB (0.35) TSHRCA12CA1CA2CA9
Hexane SCHEMBL28248364 0.74 THRB (0.35) TSHRCA12CA1CA2CA9
SCHEMBL140921 0.73 CES2 (0.46) TSHR
SCHEMBL592345 0.71 ADRB2 (0.36) TSHRCA1CA2
SCHEMBL11660040 0.71 CES2 (0.48) TSHR
SCHEMBL11655224 0.71 CES2 (0.48) TSHR
SCHEMBL11761028 0.71 CES2 (0.48) TSHR
SCHEMBL22711753 0.71 CES2 (0.48) TSHR

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 1 patent. 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