SCHEMBL3026098

SCHEMBL3026098

CC(=O)OP(=O)(O)OC(C)=O.[MgH2]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CA2 P00918 1/20 0.33
PEPD P12955 1/20 0.31
HSD17B10 Q99714 2/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
FDPS P14324 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL31620622 0.97 ALDH1A1 (0.39) CA4ALDH1A1TSHRCA2PEPD
SCHEMBL159950 0.97 ALDH1A1 (0.39) CA4ALDH1A1TSHRCA2PEPD
SCHEMBL10668283 0.94 ALDH1A1 (0.37) CA4ALDH1A1TSHRCA2PEPD
Ammonia Solution, Strong SCHEMBL10598799 0.94 ALDH1A1 (0.37) CA4ALDH1A1TSHRCA2PEPD
Ammonia Solution, Strong SCHEMBL11346530 0.94 ALDH1A1 (0.37) CA4ALDH1A1TSHRCA2PEPD
Water SCHEMBL8537661 0.94 ALDH1A1 (0.37) CA4ALDH1A1TSHRCA2PEPD
SCHEMBL27688079 0.88 ALDH1A1 (0.33) CA4ALDH1A1TSHRCA2
SCHEMBL18234051 0.85 ALDH1A1 (0.35) CA4ALDH1A1TSHRCA2TDP1
SCHEMBL31405507 0.84 HSD17B10 (0.42) ALDH1A1TSHRPEPDHSD17B10TDP1
SCHEMBL4362470 0.82

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
US-20100200807-A1 Composition RECKITT BENCKISER N.V. 2010-08-12 US disclosed
EP-2152841-A1 COMPOSITION Reckitt Benckiser N.V. (NL) 2010-02-17 EP disclosed
WO-2008149069-A1 COMPOSITION RECKITT BENCKISER N.V. (NL) 2008-12-11 WO disclosed
US-5334324-A Bleach activators in granular form HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-08-02 US disclosed
US-4695397-A Granular bleaching activator BASF AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed