SCHEMBL3674758

SCHEMBL3674758

CCCC(N)CCCC1(S)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3672908 0.87 SLC6A4 (0.30) SLC6A4SLC6A3
SCHEMBL10774760 0.76 CETP (0.35)
SCHEMBL9562499 0.76 CETP (0.35)
SCHEMBL10775295 0.76 CETP (0.35)
SCHEMBL3681515 0.76 SLC6A4 (0.32) SLC6A4SLC6A3
SCHEMBL10774575 0.74 CETP (0.36)
SCHEMBL10773811 0.74 CETP (0.36)
SCHEMBL10774242 0.74 CETP (0.36)
SCHEMBL10776210 0.74 CETP (0.33)
SCHEMBL10181636 0.73 SLC6A4 (0.36) ALDH1A1SLC6A4SLC6A3

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