SCHEMBL4451444

SCHEMBL4451444

CCCCCC(C)(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FDPS P14324 11/20 0.34
GGPS1 O95749 7/20 0.34
SMPD1 P17405 3/20 0.34
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL14778439 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL14778077 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL2573007 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL3249837 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL14778378 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL12336367 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL6160701 0.92 TSHR (0.36) TSHRTHRBALDH1A1TDP1FDPS
Hydrochloric Acid SCHEMBL9418676 0.82 HTT (0.56)
Methyl Nonyl Ketone SCHEMBL21328499 0.80 CES1 (0.42) TSHRALDH1A1TDP1CES2
SCHEMBL868219 0.79

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
CN-103012628-A Solid catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL CO 2013-04-03 CN disclosed
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
CN-101589068-A Catalyst component for olefin polymerization BASELL POLIOLEFINE SRL (IT) 2009-11-25 CN disclosed
EP-2094737-A1 CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2009-09-02 EP disclosed
WO-2008061662-A1 CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2008-05-29 WO disclosed
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
WO-2004031221-A9 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-07-08 WO disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed