SCHEMBL2584848

SCHEMBL2584848

O=C=N[C@H]1CCC[C@H](N=C=O)C1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
EPHX1 P07099 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL33061 1.00 ALDH1A1 (0.67) ALDH1A1EPHX1HIF1A
SCHEMBL8619404 1.00 ALDH1A1 (0.67) ALDH1A1EPHX1HIF1A
SCHEMBL15010774 0.97 ALDH1A1 (0.64) ALDH1A1EPHX1HIF1A
SCHEMBL19808067 0.95 ALDH1A1 (0.68) ALDH1A1EPHX1HIF1A
SCHEMBL8618390 0.94 ALDH1A1 (0.75) ALDH1A1EPHX1HIF1A
SCHEMBL5970458 0.92 ALDH1A1 (0.80) ALDH1A1EPHX1HIF1A
Methane SCHEMBL6914875 0.91 ALDH1A1 (0.56) ALDH1A1EPHX1HIF1A
SCHEMBL3908560 0.89 ALDH1A1 (0.54) ALDH1A1EPHX1HIF1A
SCHEMBL14523885 0.88 ALDH1A1 (0.83) ALDH1A1EPHX1HIF1A
SCHEMBL540664 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566924-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS Lawrence Livermore National Security, LLC (US) 2013-03-13 EP claimed
WO-2011140246-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2011-11-10 WO claimed
EP-3704177-A1 RADIOPAQUE THERMOPLASTIC POLYMER The Texas A&M University System (US) 2020-09-09 EP disclosed
EP-2566924-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS Lawrence Livermore National Security, LLC (US) 2013-03-13 EP disclosed
WO-2011140246-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2011-11-10 WO disclosed