SCHEMBL5403604

SCHEMBL5403604

C(#Cc1ccccc1C#Cc1ccccc1)c1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APP P05067 1/20 0.46
KCNH2 Q12809 2/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2D6 P10635 2/20 0.36

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
SCHEMBL1822569 0.92 APP (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6535731 0.81 KCNH2 (0.33) KCNH2
SCHEMBL2114742 0.78 APP (0.75) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5871989 0.78 APP (0.75) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21858113 0.78 GRM5 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4262000 0.77 TSHR (0.42) KCNH2GRM5FFAR1
SCHEMBL5586491 0.77 APP (0.36) MAPTAPPKCNH2GRM5
SCHEMBL28775743 0.77 PIK3CA (0.40) APPKCNH2GRM5FFAR1
SCHEMBL8093294 0.77 KCNH2 (0.50) CYP1A2MAPTAPPKCNH2GRM5
SCHEMBL6514875 0.75 RARB (0.47) CYP3A4GRM5PTPN11FFAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US claimed
CN-1643030-A Low dielectric constant materials and methods of preparation thereof HONEYWELL INT INC (US) 2005-07-20 CN claimed
EP-1373358-A4 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INT INC (US) 2005-03-16 EP claimed
EP-1309639-A4 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INT INC (US) 2004-12-08 EP claimed
US-6803441-B2 INCORPORATING THERMOSETTING MONOMER HAS A CAGE COMPOUND OR ARYL CORE STRUCTURE, PLURALITY OF ARMS THAT ARE COVALENTLY BOUND TO THE CAGE COMPOUND OR CORE STRUCTURE INTO A POLYMER TO FORM THE LOW DIELECTRIC CONSTANT POLYMER HONEYWELL INTERNATIONAL INC. 2004-10-12 US claimed
US-20040192870-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER S (US) 2004-09-30 US claimed
US-20040158024-A1 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. 2004-08-12 US claimed
EP-1373358-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF Honeywell International, Inc. (US) 2004-01-02 EP claimed
US-20030096938-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER (US) 2003-05-22 US claimed
EP-1309639-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS Honeywell International, Inc. (US) 2003-05-14 EP claimed
US-20030060590-A1 Producing a low dielectric constant polymer from a thermosetting monomer that has a cage compound or aryl core structure, which is covalently bound to a plurality of arms that contain acetylenic groups HONEYWELL INTERNATIONAL INC. 2003-03-27 US claimed
US-6469123-B1 THERMOSETTING MONOMER IS INCORPORATED INTO A POLYMER TO FORM THE LOW DIELECTRIC CONSTANT POLYMER; CAGE COMPOUNDS AND CORE STRUCTURES INCLUDE ADAMANTANE, DIAMANTANE, SILICON, A PHENYL GROUP AND A SEXIPHENYLENE HONEYWELL INTERNATIONAL INC. 2002-10-22 US claimed
WO-2002081546-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INTERNATIONAL INC. (US) 2002-10-17 WO claimed
US-20020022708-A1 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. 2002-02-21 US claimed
WO-2002008308-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2002-01-31 WO claimed
US-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US disclosed
US-7049386-B2 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. (US) 2006-05-23 US disclosed
US-20020022708-A1 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. 2002-02-21 US disclosed
WO-2002008308-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2002-01-31 WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 WO disclosed