SCHEMBL5881346

SCHEMBL5881346

C=C(C)C(=O)N[SiH2]N(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TGFBR1 P36897 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL5881409 0.76 TGFBR1 (0.33) ALDH1A1TGFBR1
SCHEMBL28972965 0.72
SCHEMBL471930 0.67
SCHEMBL16754900 0.65
Hydrochloric Acid SCHEMBL28049167 0.65 ALDH1A1 (0.36) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL25316068 0.64 ALDH1A1 (0.50) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL7171041 0.64 ALDH1A1 (0.45) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL78126 0.64 ALDH1A1 (0.45) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL9798528 0.64 ALDH1A1 (0.36) ALDH1A1TGFBR1
SCHEMBL11553710 0.64 ALDH1A1 (0.46) ALDH1A1TGFBR1TDP1KDM4E

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
US-6994791-B2 Adsorbent material and method of preparing an adsorbent material AKZO NOBEL N.V. (NL) 2006-02-07 US disclosed
EP-1515800-A1 ADSORBENT MATERIAL AND METHOD OF PREPARING AN ADSORBENT MATERIAL Akzo Nobel N.V. (NL) 2005-03-23 EP disclosed
US-20040059040-A1 Adsorbent material and method of preparing an adsorbent material AKZO NOBEL N.V. (NL) 2004-03-25 US disclosed
WO-2004002618-A1 ADSORBENT MATERIAL AND METHOD OF PREPARING AN ADSORBENT MATERIAL AKZO NOBEL N.V. (NL) 2004-01-08 WO disclosed