SCHEMBL3770023

SCHEMBL3770023

C=C(C)C(=O)NCC[N+](C)(C)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL3764634 0.89 BBOX1 (0.43) BBOX1KDM4EMAPK1HIF1AHTT
Fluoride Ion SCHEMBL8583069 0.87 BBOX1 (0.42) BBOX1KDM4EMAPK1HIF1AHTT
Hydrochloric Acid SCHEMBL6117375 0.87 BBOX1 (0.42) BBOX1BCHEACHEKDM4EMAPK1
SCHEMBL6117144 0.86 BBOX1 (0.36) BBOX1BCHEACHE
Bromide SCHEMBL6117577 0.86 DNM1 (0.41) BBOX1KDM4EMAPK1HIF1AHTT
SCHEMBL20379489 0.84 BBOX1 (0.34) BBOX1
SCHEMBL15830122 0.84 DNM1 (0.41) BCHEACHEHTTKMT2ADNM1
SCHEMBL13791328 0.83 THRB (0.38) BBOX1TSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL21801821 0.83 BBOX1 (0.36) BBOX1BCHEACHECHRM2CYP2D6
SCHEMBL7056776 0.82 CHRM2 (0.44) CHRM2CYP2D6CHRM1ADRA2CCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085828-A1 SYSTEM AND METHOD FOR CONTROLLED POLYMER DEPOLYMERIZATION Intropic Materials Corporation (US) 2025-04-24 WO disclosed
US-20250129391-A1 SYSTEM AND METHOD FOR CONTROLLED POLYMER DEPOLYMERIZATION Intropic Materials Corporation (US) 2025-04-24 US disclosed
EP-1693352-B1 SURFACTANT COMPOSITION KAO CORP (JP) 2016-03-23 EP disclosed
US-7846876-B2 Surfactant composition KAO CORPORATION (JP) 2010-12-07 US disclosed
US-20080058227-A1 Surfactant Composition KAO CORPORATION (JP) 2008-03-06 US disclosed
EP-1693352-A1 SURFACTANT COMPOSITION Kao Corporation (JP) 2006-08-23 EP disclosed