SCHEMBL3802016

SCHEMBL3802016

O=C(O)CN(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
BLM P54132 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
EYA2 O00167 1/20 0.41
APP P05067 1/20 0.41
ACE P12821 1/20 0.41
PMP22 Q01453 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL8077501 0.77 TDP1 (0.41) TDP1BLMLMNATSHRMEN1
Nitrilotriacetic Acid SCHEMBL4638079 0.73 TDP1 (0.58) TDP1BLMLMNATSHRMEN1
SCHEMBL16554931 0.72 MVD (0.37) TDP1BLMLMNATSHRMEN1
SCHEMBL527443 0.72 MVD (0.40) TDP1BLMLMNATSHRMEN1
Ammonia Solution, Strong SCHEMBL7761771 0.70 MVD (0.39) TDP1BLMLMNATSHRMEN1
SCHEMBL7876936 0.69 TDP1 (0.46) TDP1BLMLMNATSHRMEN1
SCHEMBL30712164 0.69 TDP1 (0.40) TDP1BLMLMNATSHRMEN1
SCHEMBL6794530 0.69 TDP1 (0.40) TDP1BLMLMNATSHRMEN1
Phosphoric Acid SCHEMBL30277662 0.69 MVD (0.41) TDP1BLMLMNATSHRMEN1
Edetic Acid SCHEMBL3881101 0.69 TDP1 (0.78) TDP1BLMLMNATSHRMEN1

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
JP-59104310-A None JP disclosed
US-20120136171-A1 METHOD FOR THE MANUFACTURE OFAMINO ALKYLENE PHOSPHONIC ACIDS STRAITMARK HOLDING AG (CH) 2012-05-31 US disclosed
WO-2010136566-A1 METHOD FOR THE MANUFACTURE OF AMINO ALKYLENE PHOSPHONIC ACIDS STRAITMARK HOLDING AG (CH) 2010-12-02 WO disclosed
JP-S59104310-A COMPOSITION FOR ORAL CAVITY LION CORP 1984-06-16 JP disclosed