SCHEMBL12894516

SCHEMBL12894516

[C-]#[N+]c1cc2c3c(ccc4c5c(C)cc6c7c(ccc(c1c34)c75)C(=O)OC6=O)C(=O)OC2=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.33

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
SCHEMBL2607526 0.87 TYMS (0.41) TYMS
SCHEMBL12537304 0.80 ALDH1A1 (0.35)
SCHEMBL12537312 0.76 TERT (0.37)
SCHEMBL14296961 0.75 TYMS (0.33) TYMS
SCHEMBL27316637 0.74 TYMS (0.34) TYMS
SCHEMBL12057447 0.74 TYMS (0.37) TYMS
SCHEMBL13010680 0.74 ALDH1A1 (0.34)
SCHEMBL13010672 0.74 TERT (0.31)
SCHEMBL13010662 0.73 PIN1 (0.30)
SCHEMBL13010679 0.73 TERT (0.30)

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
US-7893265-B2 Imidation of derivatives of anthracene-2,3:6,7-dianhydride, napthalene-1,4:5,8-dianhydride, or perylene-3,4:9,10-anhydride with primary amine to perylene-bis(dicarboximide)s, naphthalene-bis(dicarboximide)s, and anthracene-bis(dicarboximide)s and/or coronene-bis(dicarboximide)s; electronics, composites POLYERA CORPORATION (US) 2011-02-22 US disclosed