SCHEMBL3447697

SCHEMBL3447697

C=CC(=O)NC(C)(C)CC(C)CC(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL9865067 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6233988 0.79
SCHEMBL29804556 0.77 TAS1R3 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1073217 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20288881 0.76 TSHR (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1284022 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL27973107 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL5221036 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Iodide SCHEMBL11829332 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL23207822 0.72 TSHR (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646038-B1 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME LIFE TECHNOLOGIES INC (US) 2000-11-15 EP claimed
US-5445732-A Eliminates undesirable non-specific interaction with biomolecules SEPRACOR INC. (US) 1995-08-29 US claimed
EP-0646038-A4 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME. SEPRACOR INC (US) 1995-06-28 EP claimed
EP-0646038-A1 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME SEPRACOR, INC. (US) 1995-04-05 EP claimed
WO-1994000214-A1 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME SEPRACOR INC. (US) 1994-01-06 WO claimed
US-5268097-A Silica matrix covered with hydrophobic polystyrene SEPRACOR INC. (US) 1993-12-07 US claimed
US-7815835-B2 Rapid prototyping method and radiation-curable composition for use therein TECHNISCHE UNIVERSITAT WIEN (AT) 2010-10-19 US disclosed
US-20090224438-A1 Rapid Prototyping Method and Radiation-Curable Composition for Use Therein TECHNISCHE UNIVERSITAT WIEN (AT) 2009-09-10 US disclosed
EP-1907192-B1 RAPID-PROTOTYPING METHOD AND USE IN THE METHOD OF A RADIATION-HARDENABLE COMPOSITION UNIV WIEN TECH (AT) 2008-11-19 EP disclosed
EP-1907192-A1 RAPID-PROTOTYPING METHOD AND RADIATION-HARDENABLE COMPOSITION OF APPLICATION THERETO Technische Universität Wien (AT) 2008-04-09 EP disclosed
WO-2007002965-A1 RAPID-PROTOTYPING METHOD AND RADIATION-HARDENABLE COMPOSITION OF APPLICATION THERETO TECHNISCHE UNIVERSITÄT WIEN (AT) 2007-01-11 WO disclosed
US-6916862-B2 Process for the preparation of pigment dispersion, pigment dispersion obtained by the same, ink jet recording ink comprising the same, and recording method and recorded material using the same SEIKO EPSON CORPORATION (JP) 2005-07-12 US disclosed
EP-0857766-B1 Process for producing aqueous ink for inkjet printing KAO CORP (JP) 2005-04-20 EP disclosed
US-5470463-A Passivation mixture comprising three-dimensional polymers from main and neutralizing monomers and crosslinking agent; eliminates undesirable interactions with biomolecules SEPRACOR INC. (US) 1995-11-28 US disclosed
US-5445732-A Eliminates undesirable non-specific interaction with biomolecules SEPRACOR INC. (US) 1995-08-29 US disclosed
EP-0646038-A4 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME. SEPRACOR INC (US) 1995-06-28 EP disclosed
EP-0646038-A1 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME SEPRACOR, INC. (US) 1995-04-05 EP disclosed
US-5393430-A Chromatographic separation of proteins using cationic and anionic exchange resins SEPRACOR, INC. (US) 1995-02-28 US disclosed
WO-1994000214-A1 PASSIVATED AND STABILIZED POROUS SUPPORTS AND METHODS FOR THE PREPARATION AND USE OF SAME SEPRACOR INC. (US) 1994-01-06 WO disclosed
US-5268097-A Silica matrix covered with hydrophobic polystyrene SEPRACOR INC. (US) 1993-12-07 US disclosed