SCHEMBL3671271

SCHEMBL3671271

NC1=C(\N)CCCC/C=C\1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3671273 1.00 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3671922 0.81
SCHEMBL541379 0.71
SCHEMBL26215420 0.68
SCHEMBL13348019 0.67 NOS3 (0.40) ALDH1A1
SCHEMBL13348018 0.67 NOS3 (0.40) ALDH1A1
SCHEMBL3676791 0.67 NOS3 (0.40) ALDH1A1
SCHEMBL3676789 0.67 NOS3 (0.40) ALDH1A1
SCHEMBL12514471 0.67 NOS3 (0.40) ALDH1A1
SCHEMBL12514645 0.67 NOS3 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed