SCHEMBL862631

SCHEMBL862631

Cc1cc(-c2cc3c(C)c(C)c(C)c(C)c3o2)c(C)c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 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
SCHEMBL14231753 0.81 TSHR (0.35) TSHRMAPK1HTT
SCHEMBL11976508 0.69 MAOB (0.35) TSHRMAPK1HTT
SCHEMBL25763125 0.69 ALDH1A1 (0.47) TSHRMAPK1HTT
SCHEMBL6562580 0.68 KDM4E (0.30) MAPK1
SCHEMBL13860490 0.64 RARB (0.48)
SCHEMBL862411 0.63 ESR1 (0.31)
SCHEMBL10093821 0.63 TSHR (0.33) TSHRMAPK1HTT
Ammonia Solution, Strong SCHEMBL27547044 0.62 CYP3A4 (0.37) TSHRMAPK1
SCHEMBL26749899 0.61 NQO1 (0.37) TSHRHTT
SCHEMBL22857692 0.61 MEN1 (0.37) TSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142908-B2 Polymer light-emitting material comprising a conjugated polymer and compound exhibiting light emission from the triplet excited state and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 US disclosed