SCHEMBL1697724

SCHEMBL1697724

CC(C)C(C)C(N=C=O)N=C=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL78328 0.74
SCHEMBL31414859 0.74
SCHEMBL28105276 0.73 TSHR (0.33) TSHRCASP1
SCHEMBL583175 0.71 TSHR (0.30) TSHRCASP1
SCHEMBL17720245 0.70
SCHEMBL1787704 0.69
SCHEMBL1787707 0.69
SCHEMBL834039 0.69
SCHEMBL43884 0.67 TSHR (0.38) TSHRCASP1
SCHEMBL165104 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515589-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2019-07-31 EP disclosed
WO-2018050914-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-03-22 WO disclosed
EP-3215231-A1 CAPSULE COMPOSITION Givaudan S.A. (CH) 2017-09-13 EP disclosed
EP-3215232-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2017-09-13 EP disclosed
EP-3215233-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2017-09-13 EP disclosed
WO-2016071150-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-05-12 WO disclosed
WO-2016071149-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-05-12 WO disclosed
WO-2016071151-A1 CAPSULE COMPOSITION GIVAUDAN SA (CH) 2016-05-12 WO disclosed
EP-2585034-A2 ENCAPSULATED COMPOSITIONS COMPRISING ALDEHYDE FRAGRANCE PRECURSORS Givaudan SA (CH) 2013-05-01 EP disclosed
WO-2011161265-A2 COMPOSITIONS GIVAUDAN SA (CH) 2011-12-29 WO disclosed