SCHEMBL5052586

SCHEMBL5052586

CC(C)(C)c1csc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 3/20 0.35
▸ LIPG Q9Y5X9 3/20 0.35
▸ USP30 Q70CQ3 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ P2RX7 Q99572 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
SCHEMBL20539899 0.76 LPL (0.38) LPLLIPGP2RX7
SCHEMBL1988136 0.76 LPL (0.38) LPLLIPGP2RX7
SCHEMBL14332408 0.74 LPL (0.42) LPLLIPGP2RX7
SCHEMBL23031851 0.74 LPL (0.37) LPLLIPGP2RX7
SCHEMBL26601736 0.72 POLB (0.39) LPLLIPGHIF1AP2RX7
SCHEMBL25930160 0.71 SNCA (0.37) LPLLIPGUSP30P2RX7
SCHEMBL21052188 0.71 LPL (0.39) LPLLIPGHIF1AP2RX7
SCHEMBL25064189 0.71 LPL (0.35) LPLLIPGUSP30P2RX7
SCHEMBL13868374 0.70 LPL (0.34) LPLLIPG
SCHEMBL12205425 0.69 LPL (0.41) LPLLIPGHIF1AP2RX7

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
US-20080138635-A1 Conjugated Organic Molecules for Molecular Electronic Devices NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-06-12 — — US disclosed
WO-2006093467-A1 CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-09-08 — — WO disclosed
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