Pentetic Acid

Pentetic Acid

SCHEMBL4302880

NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
LMNA P02545 3/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
ALOX15 P16050 2/20 0.62
CYP2C19 P33261 2/20 0.62
KDM4E B2RXH2 2/20 0.62
CHRM2 P08172 1/20 0.62
ADRA2A P08913 1/20 0.62
TSHR P16473 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
DRD3 P35462 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
EYA2 O00167 1/20 0.58
APP P05067 1/20 0.58
ACE P12821 1/20 0.58

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
Edetic Acid SCHEMBL28115154 0.98 TDP1 (0.61) TDP1LMNABLMPMP22ALOX15
Edetic Acid SCHEMBL22500519 0.96 TDP1 (0.58) TDP1LMNABLMPMP22ALOX15
Edetic Acid SCHEMBL1066723 0.92 TDP1 (0.54) TDP1LMNABLMPMP22ALOX15
SCHEMBL10385583 0.92 TDP1 (0.52) TDP1LMNABLMPMP22ALOX15
Edetic Acid SCHEMBL13735825 0.90 TDP1 (0.52) TDP1LMNABLMPMP22ALOX15
Pentetic Acid SCHEMBL9725831 0.90 BLM (0.56) TDP1LMNABLMPMP22ALOX15
SCHEMBL9714346 0.90 TDP1 (0.50) TDP1LMNABLMPMP22ALOX15
SCHEMBL8968772 0.90 TDP1 (0.50) TDP1LMNABLMPMP22ALOX15
Edetic Acid SCHEMBL1933513 0.88 TDP1 (0.54) TDP1LMNABLMPMP22ALOX15
Edetic Acid SCHEMBL491356 0.88 TDP1 (0.54) TDP1LMNABLMPMP22ALOX15

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-20210355416-A1 PRESSED, SELF-SOLIDIFYING, SOLID CLEANING COMPOSITIONS AND METHODS OF MAKING THEM ECOLAB USA INC. 2021-11-18 US disclosed
US-20170260480-A1 PRESSED, SELF-SOLIDIFYING, SOLID CLEANING COMPOSITIONS AND METHODS OF MAKING THEM ECOLAB USA INC. 2017-09-14 US disclosed
US-8894897-B2 Pressed, self-solidifying, solid cleaning compositions and methods of making them ECOLAB INC. (US) 2014-11-25 US disclosed
US-20090102085-A1 Pressed, self-solidifying, solid cleaning compositions and methods of making them ECOLAB INC. (US) 2009-04-23 US disclosed