SCHEMBL3843075

SCHEMBL3843075

[CH2]CCOC(=O)C(C)(C)Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL3842975 0.88 ALDH1A1 (0.36) POLBGAANPSR1
SCHEMBL4953953 0.87 POLB (0.35) POLBGAANPSR1
SCHEMBL36866 0.85 POLB (0.41) POLBGAANPSR1CHRM2CHRM4
SCHEMBL37083 0.81 POLB (0.39) POLBGAANPSR1CHRM2CHRM4
SCHEMBL720297 0.81 POLB (0.43) POLBGAANPSR1
SCHEMBL1803764 0.81 POLB (0.39) POLBGAANPSR1CHRM2CHRM4
SCHEMBL1005389 0.81
SCHEMBL14507455 0.79 ALDH1A1 (0.38) POLBGAANPSR1CHRM2CHRM4
SCHEMBL15962065 0.79 POLB (0.38) POLBGAANPSR1CHRM2CHRM4
SCHEMBL1198114 0.79 TSHR (0.38) POLBGAANPSR1CHRM2CHRM4

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-1650214-B1 Silicon compound CHISSO CORP (JP) 2009-11-04 EP disclosed
US-7375170-B2 Organosilicon compound CHISSO CORPORATION (JP) 2008-05-20 US disclosed
EP-1849787-A1 Organosilicon compound Chisso Corporation (JP) 2007-10-31 EP disclosed
EP-1849788-A1 Organosilicon compound Chisso Corporation (JP) 2007-10-31 EP disclosed
US-7256243-B2 Silicon compound CHISSO CORPORATION (JP) 2007-08-14 US disclosed
US-20060175684-A1 Organosilicon compound JNC PETROCHEMICAL CORPORATION (JP) 2006-08-10 US disclosed
EP-1686133-A2 Organosilicon compound CHISSO CORPORATION (JP) 2006-08-02 EP disclosed
EP-1650214-A2 Silicon compound CHISSO CORPORATION (JP) 2006-04-26 EP disclosed
US-20050250925-A1 Silicon compound JNC CORPORATION (JP) 2005-11-10 US disclosed