SCHEMBL6535985

SCHEMBL6535985

C#CC12CC3CC(C1)CC1(C3)C(=O)C(O)C(O)C(=O)C21c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HSD11B1 P28845 2/20 0.31
P2RX7 Q99572 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
SCHEMBL6764300 0.73 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6762047 0.71 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4172174 0.67 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6764335 0.66 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL27584845 0.65 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL27599338 0.65 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6762005 0.65 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6767079 0.62 HSD11B1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4104798 0.62 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Methylene Chloride SCHEMBL28265345 0.62 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309639-A4 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INT INC (US) 2004-12-08 EP disclosed
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 disclosed
US-20040192870-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER S (US) 2004-09-30 US disclosed
WO-2004000909-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-12-31 WO disclosed
US-20030096938-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER (US) 2003-05-22 US disclosed
EP-1309639-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS Honeywell International, Inc. (US) 2003-05-14 EP disclosed
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 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