SCHEMBL19957599

SCHEMBL19957599

CCC(C)N1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(C(C)CC)C5O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL19957597 0.90
SCHEMBL3781232 0.86 CYP1B1 (0.37)
SCHEMBL23348430 0.84
SCHEMBL25583101 0.82 TERT (0.35) TSHR
SCHEMBL23309736 0.82 TSHR (0.37) TSHR
SCHEMBL13010687 0.80 CYP1B1 (0.33)
SCHEMBL13754701 0.79 TERT (0.34)
SCHEMBL19957459 0.79 DNMT3A (0.31)
SCHEMBL23348359 0.79
SCHEMBL3723988 0.77 CYP1B1 (0.35)

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
EP-2240970-B1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2018-03-14 EP disclosed