SCHEMBL3984844

SCHEMBL3984844

CCCCCCCCCCCCCCCCCC[Si](C)(C)CN

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.46
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2007000 1.00 DNM1 (0.46) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL2003715 1.00 DNM1 (0.46) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL2006075 0.97 DNM1 (0.41) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL2008166 0.89
SCHEMBL8388564 0.83 TSHR (0.53) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL19119178 0.83 TSHR (0.53) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL25701961 0.83 TSHR (0.53) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL10356347 0.83 TSHR (0.53) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL10356295 0.83 TSHR (0.53) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL10356297 0.83 TSHR (0.53) DNM1TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009059984-A2 REVERSIBLE HYDROPHOBIZATION OF ANTITUMOR DRUGS FOR ENHANCED FIRST-PASS DRUG UPTAKE F. HOFFMANN-LA ROCHE AG (CH) 2009-05-14 WO disclosed
US-20090074885-A1 Reversible Hydrophobic Modification of Drugs for Improved Delivery to Cells ROCHE MADISON INC. (US) 2009-03-19 US disclosed
EP-1663933-A2 IMPROVED DELIVERY BY LABILE HYDROPHOBIC MODIFICATION OF DRUGS Mirus Bio Corporation (US) 2006-06-07 EP disclosed
WO-2005026083-A2 IMPROVED DELIVERY BY LABILE HYDROPHOBIC MODIFICATION OF DRUGS MIRUS BIO CORPORATION (US) 2005-03-24 WO disclosed
US-20050054612-A1 Delivery by labile hydrophobic modification of drugs ROCHE MADISON INC. 2005-03-10 US disclosed