SCHEMBL3673290

SCHEMBL3673290

NCC1=C(\CN)CCCC/C=C\1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3673291 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3672707 0.85
SCHEMBL18945023 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3673036 0.68
Hydrochloric Acid SCHEMBL9004738 0.66
SCHEMBL3667301 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3667302 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29210914 0.64 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3675466 0.62
SCHEMBL29210926 0.61 ALDH1A1 (0.35) 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