SCHEMBL902256

SCHEMBL902256

[CH2][N+](C)(C)CCC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
BBOX1 O75936 4/20 0.38
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL902258 0.83 ACHE (0.46) ALDH1A1TSHRBBOX1ACHE
Hydrochloric Acid SCHEMBL422093 0.81 ACHE (0.44) ALDH1A1TSHRBBOX1ACHE
Hydrochloric Acid SCHEMBL28681425 0.79 ACHE (0.43) ALDH1A1TSHRBBOX1ACHECYP1A2
SCHEMBL2142810 0.76 ACHE (0.56) ALDH1A1TSHRBBOX1ACHEHSD17B10
Sulfuric Acid SCHEMBL775347 0.76 ACHE (0.40) ALDH1A1TSHRBBOX1ACHE
Iodide SCHEMBL4247915 0.76 BBOX1 (0.48) ALDH1A1TSHRBBOX1ACHE
SCHEMBL29270413 0.76 TSHR (0.44) ALDH1A1TSHRBBOX1ACHE
SCHEMBL9408557 0.74 ALDH1A1 (0.48) ALDH1A1TSHRBBOX1
Hydrochloric Acid SCHEMBL5605775 0.74 ACHE (0.54) ALDH1A1TSHRBBOX1ACHEHSD17B10
Sulfuric Acid SCHEMBL775349 0.74 ACHE (0.39) ALDH1A1TSHRBBOX1ACHE

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
EP-2635634-A2 METHOD OF USING ALDEHYDE-FUNCTIONALIZED POLYMERS TO INCREASE PAPERMACHINE PERFORMANCE AND ENHANCE SIZING Nalco Company (US) 2013-09-11 EP disclosed
WO-2012061384-A2 METHOD OF USING ALDEHYDE-FUNCTIONALIZED POLYMERS TO INCREASE PAPERMACHINE PERFORMANCE AND ENHANCE SIZING NALCO COMPANY (US) 2012-05-10 WO disclosed
WO-2012042157-A1 GEL PROCESS FOR POLYMERIZATION VIA ULTRASOUND INITIATION UPPA - UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR (FR) 2012-04-05 WO disclosed
EP-1463767-A4 HIGH MOLECULAR WEIGHT CATIONIC AND ANIONIC POLYMERS COMPRISING ZWITTERIONIC MONOMERS NALCO CO (US) 2006-05-24 EP disclosed
EP-1463767-A1 HIGH MOLECULAR WEIGHT CATIONIC AND ANIONIC POLYMERS COMPRISING ZWITTERIONIC MONOMERS Nalco Company (US) 2004-10-06 EP disclosed
WO-2003051941-A1 HIGH MOLECULAR WEIGHT CATIONIC AND ANIONIC POLYMERS COMPRISING ZWITTERIONIC MONOMERS ONDEO NALCO COMPANY (US) 2003-06-26 WO disclosed