SCHEMBL4047348

SCHEMBL4047348

C=CCN(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
S1PR1 P21453 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 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
Water SCHEMBL10786878 0.89 ESR1 (0.43) ESR1S1PR1CYP1A2MAPTMEN1
SCHEMBL39946 0.87 ESR1 (0.44) ESR1S1PR1CYP1A2MAPTMEN1
Benzene SCHEMBL27985319 0.87 ESR1 (0.44) ESR1S1PR1CYP1A2MAPTMEN1
SCHEMBL9818045 0.87 ESR1 (0.44) ESR1S1PR1CYP1A2MAPTMEN1
Methane SCHEMBL27634949 0.85 ESR1 (0.43) ESR1S1PR1CYP1A2MAPTMEN1
Ammonia Solution, Strong SCHEMBL28398668 0.85 ESR1 (0.43) ESR1S1PR1CYP1A2MAPTMEN1
SCHEMBL3265246 0.79 ALDH1A1 (0.41) ESR1S1PR1CYP1A2MAPTMEN1
SCHEMBL3435243 0.78 CHKA (0.41) ESR1S1PR1CYP1A2MEN1KMT2A
Phenol SCHEMBL27524729 0.78 ESR1 (0.54) ESR1S1PR1CYP1A2MAPTMEN1
Aniline SCHEMBL28290595 0.78 TSHR (0.46) ESR1S1PR1CYP1A2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123778-A1 Polyolefins made by catalyst comprising a noncoordinating anion and articles comprising them EXXONMOBIL CHEMICAL PATENTS INC. 2005-06-09 US claimed
EP-1406761-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2004-04-14 EP claimed
WO-2003000740-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-03 WO claimed
EP-1406761-B1 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM EXXONMOBIL CHEM PATENTS INC (US) 2016-11-02 EP disclosed
US-7511104-B2 Polyolefins made by catalyst comprising a noncoordinating anion and articles comprising them EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-03-31 US disclosed
US-20050123778-A1 Polyolefins made by catalyst comprising a noncoordinating anion and articles comprising them EXXONMOBIL CHEMICAL PATENTS INC. 2005-06-09 US disclosed
EP-1406761-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2004-04-14 EP disclosed
WO-2003000740-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-03 WO disclosed