SCHEMBL6914726

SCHEMBL6914726

O=C([O-])C1CCCC1.O=C([O-])C1CCCC1.O=C([O-])C1CCCC1.[Al+3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
NOS2 P35228 1/20 0.35
EPHX1 P07099 1/20 0.34
RECQL P46063 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL6916795 0.97 CES2 (0.55) CES2CES1HDAC8HDAC6CA12
SCHEMBL6913757 0.97 CES2 (0.55) CES2CES1HDAC8HDAC6CA12
SCHEMBL5419871 0.97 CES2 (0.55) CES2CES1HDAC8HDAC6CA12
SCHEMBL11648451 0.97 CES2 (0.48) CES2CES1HDAC8HDAC6CA12
SCHEMBL20702517 0.97 CES2 (0.53) CES2CES1HDAC8HDAC6CA12
SCHEMBL11654657 0.94 CES2 (0.52) CES2CES1HDAC8HDAC6CA12
SCHEMBL25243905 0.94 CES2 (0.50) CES2CES1HDAC8HDAC6CA12
SCHEMBL5209595 0.94
Potassium Ion SCHEMBL9364806 0.94
Silver SCHEMBL11800684 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251465-A Thermally conductive silicone composition and method for producing gap filler using the same 瓦克化学股份公司 2024-06-25 CN disclosed
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed