Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL985342

CC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(=O)CC(C)(C)N1.O=C(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
EYA2 O00167 1/20 0.37
APP P05067 1/20 0.37
ACE P12821 1/20 0.37
ALOX15 P16050 3/20 0.35
CYP2C19 P33261 3/20 0.35
TSHR P16473 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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 SCHEMBL987987 0.93 TDP1 (0.48) SMN1; SMN2TDP1EYA2APPACE
Pentetic Acid SCHEMBL987622 0.91 TDP1 (0.50) SMN1; SMN2TDP1EYA2APPACE
Acetic Acid SCHEMBL988122 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALOX15CYP2C19ALDH1A1KMT2A
Sebacic Acid SCHEMBL11895048 0.78 TSHR (0.44) TDP1APPALOX15TSHRPMP22
SCHEMBL38953 0.77 SMN1; SMN2 (0.56) SMN1; SMN2ALOX15CYP2C19TSHRKDM4E
Nitrilotriacetic Acid SCHEMBL986873 0.76 TSHR (0.37) TDP1EYA2APPACEALOX15
Nitrilotriacetic Acid SCHEMBL984675 0.76 TDP1 (0.35) TDP1EYA2APPACEALOX15
Nitrilotriacetic Acid SCHEMBL15163060 0.76 TDP1 (0.35) TDP1EYA2APPACEALOX15
Hypochlorous Acid SCHEMBL5218614 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19TSHRKDM4ELMNA
Water SCHEMBL7733637 0.75 SMN1; SMN2 (0.54) SMN1; SMN2ALOX15CYP2C19TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed