SCHEMBL10057632

SCHEMBL10057632

C=C/C(C)=C\C=C(/N)C#N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL19188090 0.76 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL12295338 0.76
SCHEMBL23913515 0.75
SCHEMBL6430277 0.74 ALDH1A1 (0.47) ALDH1A1
SCHEMBL18431012 0.74 ALDH1A1 (0.47) ALDH1A1
SCHEMBL10157111 0.72
SCHEMBL13849266 0.72
SCHEMBL13552347 0.72
SCHEMBL5562785 0.72
SCHEMBL19322654 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012024132-A2 SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO disclosed