SCHEMBL7914255

SCHEMBL7914255

CC(=O)CC(C(C)=O)(C(C)=O)C(CO)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL6251924 0.74 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL9511998 0.70 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL9248985 0.69 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL9302958 0.67 KDM4E (0.34)
SCHEMBL14727815 0.67 CYP2D6 (0.35) ALDH1A1TDP1
SCHEMBL14321999 0.65
SCHEMBL27504045 0.65 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL14514092 0.65 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL10571434 0.64 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL4649993 0.64 ALDH1A1 (0.39) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214159-B1 FASTENING ANCHORING ELEMENTS IN BORE HOLES HILTI AKTIENGESELLSCHAFT (LI) 2001-04-10 US claimed
EP-0974610-A2 Curable epoxy compound and its use HILTI Aktiengesellschaft (LI) 2000-01-26 EP claimed