SCHEMBL6746114

SCHEMBL6746114

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
BBOX1 O75936 6/20 0.41
FFAR3 O14843 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
TSHR P16473 2/20 0.39
SLC15A2 Q16348 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL172291 0.77
SCHEMBL15096048 0.77
Hydrochloric Acid SCHEMBL11909043 0.74 LMNA (0.52) LMNAALKBH5SUCNR1EGLN1BBOX1
Water SCHEMBL27276863 0.74 TSHR (0.48) LMNAALKBH5SUCNR1EGLN1BBOX1
SCHEMBL6743145 0.74 LMNA (0.43) LMNABBOX1TSHRCAMK2AALDH1A1
SCHEMBL17342780 0.74
SCHEMBL6743073 0.72 GABRR1 (0.33) LMNABBOX1HDAC3HDAC1HDAC2
Succinic Acid SCHEMBL21440318 0.72 LMNA (0.69) LMNAALKBH5SUCNR1EGLN1BBOX1
SCHEMBL12160752 0.70 TSHR (0.50) LMNAALKBH5SUCNR1EGLN1BBOX1
SCHEMBL21694286 0.69 LMNA (0.53) LMNAALKBH5SUCNR1EGLN1FFAR3

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