SCHEMBL5287987

SCHEMBL5287987

CC(C)Cc1[nH]cc[n+]1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 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
SCHEMBL5301878 0.79 HIF1A (0.35) HTT
Hydrochloric Acid SCHEMBL931096 0.68
Bromide SCHEMBL31207563 0.68
Water SCHEMBL9893340 0.66
SCHEMBL16061882 0.64
SCHEMBL31207557 0.64
SCHEMBL5289811 0.64
SCHEMBL15527854 0.61
Isobutylbenzene SCHEMBL2571645 0.58 SIGMAR1 (0.64)
Isobutylbenzene SCHEMBL7493657 0.58 SIGMAR1 (0.64)

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed