SCHEMBL3824911

SCHEMBL3824911

[CH2]C(O)COCC(O)CC1CO1

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
SCHEMBL1552366 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17493419 0.78
SCHEMBL8777374 0.77 TSHR (0.33) ALDH1A1
SCHEMBL27783095 0.74 TSHR (0.40) ALDH1A1
SCHEMBL28954002 0.74 TSHR (0.41) ALDH1A1
SCHEMBL1445976 0.74
SCHEMBL1783303 0.74
SCHEMBL819583 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL673775 0.73 ALDH1A1 (0.54) ALDH1A1
SCHEMBL29054510 0.71 TSHR (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707610-B1 Photochromic polymerizable composition TOKUYAMA CORP (JP) 2009-09-09 EP disclosed
EP-1707610-A2 Photochromic polymerizable composition Tokuyama Corporation (JP) 2006-10-04 EP disclosed
EP-0984053-B1 PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORP (JP) 2006-09-06 EP disclosed
US-6362248-B1 MIXTURE OF (METH)ACRYLATE MONOMER AND CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2002-03-26 US disclosed
US-6110400-A HIGH COLOR DENSITY; OPHTHALMIC LENSES TOKUYAMA CORPORATION (JP) 2000-08-29 US disclosed
EP-0984053-A1 PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2000-03-08 EP disclosed
EP-0900798-A1 FULGIMIDE COMPOUNDS, USE OF THEM, AND COMPOSITIONS CONTAINING THE SAME TOKUYAMA CORPORATION (JP) 1999-03-10 EP disclosed