SCHEMBL4973579

SCHEMBL4973579

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
BBOX1 O75936 1/20 0.35
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL27980318 0.98 TDP1 (0.57) TDP1BBOX1LMNAALOX15BLM
SCHEMBL4969427 0.87 TDP1 (0.63) TDP1LMNAALOX15BLMPMP22
SCHEMBL4971392 0.87 TDP1 (0.50) TDP1BBOX1CYP2C19
Hydrochloric Acid SCHEMBL605741 0.85 TDP1 (0.60) TDP1LMNAALOX15BLMPMP22
Iodide SCHEMBL9241279 0.85 TDP1 (0.60) TDP1LMNAALOX15BLMPMP22
Water SCHEMBL29010291 0.83 TDP1 (0.57) TDP1LMNAALOX15BLMPMP22
Methacrylic Acid SCHEMBL28809592 0.82 BBOX1 (0.37) TDP1BBOX1LMNABLMALDH1A1
Tetrylammonium SCHEMBL28754153 0.82 TDP1 (0.63) TDP1LMNAALOX15BLMPMP22
Propane SCHEMBL22974974 0.81
Propane SCHEMBL28309137 0.81 TDP1 (0.80) TDP1LMNAALOX15BLMPMP22

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-1980544-B1 Process for producing powder KAO CORP (JP) 2016-11-16 EP disclosed
CN-1863888-B Surfactant composition KAO CORP 2010-11-24 CN disclosed
US-20080262129-A1 mixing an anionic aromatic compound (sodium p-toluenesulfonate), a cationic surfactant polydiallyldimethylammonium chloride and water to obtain a viscous material and feeding the viscous material heated at the specific temperature to the drying step; less caking; modifying the rheology KAO CORPORATION (JP) 2008-10-23 US disclosed
EP-1980544-A2 Process for producing powder Kao Corporation (JP) 2008-10-15 EP disclosed
CN-101280172-A Process for producing powder KAO CORP (JP) 2008-10-08 CN disclosed
CN-1863888-A Surfactant composition KAO CORP (JP) 2006-11-15 CN disclosed