SCHEMBL6901765

SCHEMBL6901765

C=C(CC(=C)C(N)=O)C(N)=O.C=C(CO)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
OR51E2 Q9H255 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
SCHEMBL27930728 0.91 TDP1 (0.42) TDP1ALDH1A1LMNAOR51E2
SCHEMBL25805 0.91
SCHEMBL28249797 0.88
Methane SCHEMBL27684801 0.88
Water SCHEMBL9482349 0.88
Fluoride SCHEMBL30158789 0.88
Formaldehyde SCHEMBL28216219 0.88
Ammonia Solution, Strong SCHEMBL27963020 0.88
SCHEMBL33773 0.88 TDP1 (0.44) TDP1ALDH1A1LMNAOR51E2
Dimethylamine SCHEMBL11476109 0.86 TDP1 (0.41) TDP1ALDH1A1LMNAOR51E2

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-1458794-A1 HEAT-CURABLE RESIN COMPOSITION Huntsman Advanced Materials (Switzerland) GmbH (CH) 2004-09-22 EP disclosed
WO-2003048235-A1 HEAT-CURABLE RESIN COMPOSITION VANTICO AG (CH) 2003-06-12 WO disclosed