SCHEMBL14354641

SCHEMBL14354641

C=CC(=O)OCC1CC2C3CC(CC3COC(=O)c3ccc(C(=O)OCC4CC5C6CC(CC6COC(=O)C(=C)C)[C@H]5C4)cc3)[C@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL12952090 1.00 ALDH1A1 (0.32) ALDH1A1CA1CA2
SCHEMBL12952320 1.00 ALDH1A1 (0.32) ALDH1A1CA1CA2
SCHEMBL12952164 1.00 ALDH1A1 (0.32) ALDH1A1CA1CA2
SCHEMBL12926916 1.00 ALDH1A1 (0.32) ALDH1A1CA1CA2
SCHEMBL12951953 0.93 — —
SCHEMBL12926919 0.93 — —
SCHEMBL12951943 0.93 — —
SCHEMBL14354635 0.93 — —
SCHEMBL12928523 0.92 CHRNB2 (0.30) —
SCHEMBL12952318 0.92 CHRNB2 (0.30) —

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-20070299154-A1 Mold compositions with high adhesion to metal substrates DESIGNER MOLECULES, INC. 2007-12-27 — — US disclosed
US-7285613-B2 Free-radical curable polyesters and methods for use thereof DESIGNER MOLECULES, INC. (US) 2007-10-23 — — US disclosed
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