SCHEMBL6743073

SCHEMBL6743073

C[N+](CCN)(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.33
TSHR P16473 3/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
BBOX1 O75936 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 3/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRR2 P28476 1/20 0.32

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
SCHEMBL6743145 0.74 LMNA (0.43) TSHRBBOX1LMNAKMT2AALDH1A1
SCHEMBL6746114 0.72 LMNA (0.42) TSHRBBOX1LMNAHDAC3HDAC1
SCHEMBL4729368 0.69
SCHEMBL25408982 0.69 TSHR (0.48) GABRR1TSHRGLRA1SLC6A9OR51E2
SCHEMBL6745530 0.69 ALDH1A1 (0.38) TSHRLMNABLMALDH1A1APEX1
SCHEMBL18362319 0.69 TSHR (0.48) GABRR1TSHRGLRA1SLC6A9OR51E2
SCHEMBL29500429 0.67 DNM1 (0.50) TSHRKMT2AHDAC11ALDH1A1
Oxalic Acid SCHEMBL27651367 0.64 OR51E2 (0.50) GABRR1TSHRGLRA1SLC6A9OR51E2
Oxalic Acid SCHEMBL7573989 0.64 OR51E2 (0.50) GABRR1TSHRGLRA1SLC6A9OR51E2
Oxalic Acid SCHEMBL5181650 0.64 OR51E2 (0.50) GABRR1TSHRGLRA1SLC6A9OR51E2

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
EP-0772770-B2 DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2004-02-11 EP disclosed
EP-0772770-B1 DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2000-04-05 EP disclosed
EP-0971230-A1 Determining biodegradability of iminodiacetic acid derivatives, degradable chelants, uses and compositions thereof THE DOW CHEMICAL COMPANY (US) 2000-01-12 EP disclosed
EP-0772770-A1 DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) 1997-05-14 EP disclosed
US-5616497-A CONTACTING WITH CHELANT COMPRISING DICARBOXYMETHANAMINE COMPOUND THE DOW CHEMICAL COMPANY (US) 1997-04-01 US disclosed
US-5606512-A FOR USE AS CHELATING AGENTS THE DOW CHEMICAL COMPANY (US) 1997-02-25 US disclosed