SCHEMBL5077896

SCHEMBL5077896

C=C(C)C(=O)N=C=O.C=CCN=C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 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
SCHEMBL157138 0.80
Fluoride SCHEMBL8839901 0.78
Ethylene Glycol SCHEMBL5436848 0.77 TDP1 (0.31)
SCHEMBL55258 0.76
Urea SCHEMBL23668355 0.74 TSHR (0.42) TRPA1CYP3A4MIFTSHR
Water SCHEMBL27925735 0.73
Hydrochloric Acid SCHEMBL28010780 0.73
Charcoal, Activated SCHEMBL11494627 0.73
SCHEMBL27657735 0.73
Ethylene SCHEMBL28256406 0.73

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
EP-1074576-B1 Method for preparing crosslinked organic particles and suspensions DOW CORNING TORAY CO LTD (JP) 2008-05-14 EP claimed
EP-1074576-B1 Method for preparing crosslinked organic particles and suspensions DOW CORNING TORAY CO LTD (JP) 2008-05-14 EP disclosed