SCHEMBL3980478

SCHEMBL3980478

C/C(=C\CC1CO1)C(=O)OCC(C)OC(=O)/C(C)=C/CC1CO1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.33

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
SCHEMBL28077888 0.83 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28098611 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4370786 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL5031593 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL15772 0.79 ALDH1A1 (0.59) ALDH1A1
SCHEMBL1809474 0.79 ALDH1A1 (0.42) ALDH1A1
SCHEMBL19549653 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL27786767 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL27708634 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL7213623 0.76 ALDH1A1 (0.40) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8529789-B2 Curable composition TOKUYAMA CORPORATION (JP) 2013-09-10 US disclosed
EP-1130038-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2009-05-06 EP disclosed
US-20050263745-A1 Method of preparing a ceramic artificial crown and a preparation kit used therefor TOKUYAMA CORPORATION (JP) 2005-12-01 US disclosed
EP-1130038-A1 CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-09-05 EP disclosed