SCHEMBL6745530

SCHEMBL6745530

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CHRM1 P11229 9/20 0.34
CHRM3 P20309 9/20 0.34
CHRM4 P08173 8/20 0.34
CHRM2 P08172 7/20 0.34
CHRM5 P08912 6/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA7 P36544 3/20 0.34
HTR1A P08908 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
PGR P06401 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
TSHR P16473 3/20 0.33

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
SCHEMBL6747977 0.86 ALDH1A1 (0.50) ALDH1A1CHRM1CHRM3CHRM4CHRM2
SCHEMBL15016189 0.80 ALDH1A1 (0.38) ALDH1A1CHRM1CHRM3CHRM4CHRM2
SCHEMBL15016145 0.80 ALDH1A1 (0.38) ALDH1A1CHRM1CHRM3CHRM4CHRM2
Bicarbonate SCHEMBL5073141 0.77 ALDH1A1 (0.39) ALDH1A1CHRM1CHRM3CHRM4CHRM2
Bicarbonate SCHEMBL29201465 0.77 CHRM1 (0.52) ALDH1A1CHRM1CHRM3CHRM4CHRM2
Bicarbonate SCHEMBL5072374 0.77 ALDH1A1 (0.39) ALDH1A1CHRM1CHRM3CHRM4CHRM2
SCHEMBL15016114 0.75 ALDH1A1 (0.34) ALDH1A1CHRM1CHRM3CHRM4CHRM2
Pivalate SCHEMBL29196174 0.75 CHRM1 (0.45) ALDH1A1CHRM1CHRM3CHRM4CHRM2
Bicarbonate SCHEMBL30869352 0.73 ALDH1A1 (0.37) ALDH1A1CHRM1CHRM3CHRM4CHRM2
Bicarbonate SCHEMBL29201353 0.73 CHRM1 (0.48) ALDH1A1CHRM1CHRM3CHRM4CHRM2

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 7 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
WO-1996003643-A1 DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1996-02-08 WO disclosed