SCHEMBL9110218

SCHEMBL9110218

C=CC=CC[CH]CCCC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL9111456 0.93 TSHR (0.44) TSHRALDH1A1
SCHEMBL3649690 0.91 TSHR (0.48) TSHRALDH1A1
SCHEMBL9112171 0.86
SCHEMBL19973893 0.86
SCHEMBL872475 0.86
SCHEMBL25172444 0.82 TRPV1 (0.47) TSHRALDH1A1
SCHEMBL9110439 0.82 TSHR (0.44) TSHRALDH1A1
SCHEMBL14856637 0.82 TSHR (0.44) TSHRALDH1A1
SCHEMBL50222 0.80
SCHEMBL6474996 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed