SCHEMBL723252

SCHEMBL723252

CC(C)CNCC(C)C.CCCCNCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 1/20 0.39
CYP1A2 P05177 1/20 0.38
ANPEP P15144 2/20 0.35
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
ERAP2 Q6P179 1/20 0.34

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
SCHEMBL1834670 0.92 TSHR (0.50) TSHRALDH1A1CYP3A4EPHX1CYP2C19
SCHEMBL17541818 0.92 TSHR (0.50) TSHRALDH1A1CYP3A4EPHX1CYP2C19
SCHEMBL271458 0.92
Hydrochloric Acid SCHEMBL10840766 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4EPHX1CYP2C19
Pentane SCHEMBL6411194 0.86 TSHR (0.46) TSHRALDH1A1CYP3A4EPHX1CYP2C19
SCHEMBL9807317 0.85 EPHX1 (0.50) TSHRALDH1A1CYP3A4EPHX1ADH1B
SCHEMBL4684668 0.84 TSHR (0.60) TSHRALDH1A1EPHX1CYP2C19ADH1B
SCHEMBL23559991 0.83 TSHR (0.45) TSHRALDH1A1CYP3A4EPHX1CYP2C19
SCHEMBL6178364 0.82 TSHR (0.57) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11114390 0.82 TSHR (0.57) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609176-A2 ON-LINE MONITORING AND PREDICTION CORROSION IN OVERHEAD SYSTEMS Baker Hughes Incorporated (US) 2013-07-03 EP disclosed
WO-2012027008-A2 ON-LINE MONITORING AND PREDICTION CORROSION IN OVERHEAD SYSTEMS BAKER HUGHES INCORPORATED (US) 2012-03-01 WO disclosed
US-20120053861-A1 ON-LINE MONITORING AND PREDICTION OF CORROSION IN OVERHEAD SYSTEMS BAKER HUGHES INCORPORATED (US) 2012-03-01 US disclosed
EP-0768323-B1 Process for preparing a polymer using lithium initiator prepared by in situ preparation BRIDGESTONE CORP (JP) 2001-04-11 EP disclosed
US-5717043-A ADDITION COPOLYMERIZATION USING BUTADIENE AND VINYLAROMATIC MONOMERS IN PRESENCE OF A POLYMERIZATION INITIATOR FORMED IN SITU BY REACTING A LITHIUM COMPOUND AND A CYCLIC IMINE, AND COUPLING AFTER POLYMERIZTION; HIGH MOLECULAR WEIGHT POLYMER BRIDGESTONE CORPORATION (JP) 1998-02-10 US disclosed
EP-0594107-B1 Process for preparing a polymer using lithium initiator prepared by in situ preparation BRIDGESTONE CORP (JP) 1997-06-18 EP disclosed
US-5625017-A Process for preparing a polymer using lithium initiator prepared by in situ preparation BRIDGESTONE CORPORATION (JP) 1997-04-29 US disclosed
EP-0768323-A1 Process for preparing a polymer using lithium initiator prepared by in situ preparation Bridgestone Corporation (JP) 1997-04-16 EP disclosed
CN-1025626-C Process for coating electrically couductive substrates, water-based coated coatings and crosslinking agents containing masked NCO qroups BASF LACKE & FARBEN (DE) 1994-08-10 CN disclosed
EP-0594107-A1 Process for preparing a polymer using lithium initiator prepared by in situ preparation BRIDGESTONE CORPORATION (JP) 1994-04-27 EP disclosed
CN-1058054-A The method of coating electrically conductive matrix, water-based paint and contain the linking agent of masked isocyanate group BASF LACKE & FARBEN (DE) 1992-01-22 CN disclosed