SCHEMBL12952091

SCHEMBL12952091

C=CC(=O)OCC1CC2C3CC(COC(=O)c4cccc(C(=O)OCC5CC6C7CC(COC(=O)C(=C)C)C(C7)C6C5)c4)C(C3)C2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL12926914 1.00 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL12952318 1.00 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL14404322 1.00 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL12928523 1.00 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL12926921 1.00 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL12928446 0.96 — —
SCHEMBL17922815 0.93 ALDH1A1 (0.33) CHRNB2CHRNA4
SCHEMBL12952320 0.92 ALDH1A1 (0.32) —
SCHEMBL12926916 0.92 ALDH1A1 (0.32) —
SCHEMBL14354641 0.92 ALDH1A1 (0.32) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875688-B2 Useful as b-stageable adhesives for the microelectonic packaging industry DESIGNER MOLECULES, INC. (US) 2011-01-25 — — US disclosed
US-7863346-B2 Mold compositions with high adhesion to metal substrates DESIGNER MOLECULES, INC. (US) 2011-01-04 — — US disclosed
US-7786248-B2 Underfill compositions and methods for use thereof DESIGNER MOLECULES, INC. (US) 2010-08-31 — — US disclosed
US-20080210375-A1 Free-radical curable polyesters and methods for use thereof DESIGNER MOLECULES, INC. 2008-09-04 — — US disclosed
US-20070299154-A1 Mold compositions with high adhesion to metal substrates DESIGNER MOLECULES, INC. 2007-12-27 — — US disclosed
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