SCHEMBL4609690

SCHEMBL4609690

CCOP(=O)(OCC)C(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 2/20 0.42
HMGCR P04035 2/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 2/20 0.38
NR1I2 O75469 2/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL14954658 0.82 CA12 (0.42) CA12CA1CA2CA9TSHR
SCHEMBL2988169 0.79 CA12 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL4609879 0.79 CYP2C19 (0.31) CYP2C19
SCHEMBL4610649 0.79 CYP3A4 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL2762066 0.78 TSHR (0.43) CA12CA1CA2CA9TSHR
SCHEMBL4610232 0.76 CYP3A4 (0.33) TSHRCYP3A4
SCHEMBL4609292 0.76 HTT (0.34)
SCHEMBL28259561 0.74 TSHR (0.40) CA12CA1CA2CA9TSHR
SCHEMBL4837576 0.74 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL14081944 0.73 CA1 (0.42) CA12CA1CA2CA9TSHR

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
US-20150378282-A1 TRANSFER MEMBER AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2015-12-31 US disclosed
US-20150378282-A1 TRANSFER MEMBER AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2015-12-31 US disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed