SCHEMBL13108993

SCHEMBL13108993

[C-]#[N+]C1(C(C)=O)CC2CC2(C(=C)C(=O)OC)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL13108989 0.85
SCHEMBL13108988 0.83
SCHEMBL13108992 0.80
SCHEMBL13008563 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13008555 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13008566 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3390107 0.69 LMNA (0.30)
SCHEMBL13108987 0.69
SCHEMBL13008528 0.69
SCHEMBL13008175 0.68

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
US-7816476-B2 Polymerizable cyclopropyl acrylates IVOCLAR VIVADENT AG (LI) 2010-10-19 US disclosed