SCHEMBL5087892

SCHEMBL5087892

N#CCC(CO)(CC#N)CC#N

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL7883058 0.93 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL12123460 0.93 ALDH1A1 (0.35) ALDH1A1TSHR
Alcohol SCHEMBL11666408 0.91 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL2151901 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8632880 0.83 ALDH1A1 (0.55) ALDH1A1TSHR
SCHEMBL13623250 0.78 ALDH1A1 (0.36) ALDH1A1
Propionitrile SCHEMBL29047732 0.71 ALDH1A1 (0.56) ALDH1A1TSHR
Propionitrile SCHEMBL29047725 0.71 ALDH1A1 (0.56) ALDH1A1TSHR
Cyanamide SCHEMBL27950448 0.69 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL8208263 0.69 ALDH1A1 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396488-B2 Light emitting device and fluorescent material MITSUBISHI CHEMICAL CORPORATION (JP) 2008-07-08 US disclosed
US-7282160-B2 Light emitting device and fluorescent material MITSUBISHI CHEMICAL CORPORATION (JP) 2007-10-16 US disclosed
US-20070085057-A1 LIGHT EMITTING DEVICE AND FLUORESCENT MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
US-20060172148-A1 Light emitting device and fluorescent material MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US disclosed
CN-1795252-A Light emitting device and fluorescent material MITSUBISHI CHEM CORP (JP) 2006-06-28 CN disclosed