SCHEMBL5069896

SCHEMBL5069896

O=C(O)CN(C(=O)O)N(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ EYA2 O00167 1/20 0.41
▸ APP P05067 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ BLM P54132 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL23901175 0.71 TDP1 (0.32) TDP1EYA2APPACEBLM
SCHEMBL23451333 0.67 TSHR (0.30) TDP1EYA2APPACETSHR
SCHEMBL562965 0.65 TDP1 (0.47) TDP1EYA2APPACEBLM
SCHEMBL6243323 0.65 TDP1 (0.47) TDP1EYA2APPACEBLM
SCHEMBL11060373 0.65 CA1 (0.40) —
Nitrilotriacetic Acid SCHEMBL9771757 0.63 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL670055 0.63 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL8463064 0.63 TDP1 (0.73) TDP1EYA2APPACEBLM
Nitrilotriacetic Acid SCHEMBL20409 0.63 TDP1 (0.73) TDP1EYA2APPACEBLM
SCHEMBL4309666 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8246857-B2 Ultilizing synergistic combination of alkyl polyglycoside and polyaspartic acid component; superior environmental categorization; offshore oil and gas industry, heating and cooling circuits, water treatment BASF AKTIENGESELLSCHAFT (DE) 2012-08-21 — — US disclosed
US-20080272342-A1 Chemical Composition Useful as Corrosion Inhibitor BASF AKTIENGESELLSCHAFT (DE) 2008-11-06 — — US disclosed
EP-1969158-A2 CHEMICAL COMPOSITION USEFUL AS CORROSION INHIBITOR BASF SE (DE) 2008-09-17 — — EP disclosed
WO-2007063069-A2 CHEMICAL COMPOSITION USEFUL AS CORROSION INHIBITOR BASF SE (DE) 2007-06-07 — — WO disclosed
US-5747635-A DETERGENTS AND CLEANER ADDITIVES, ANTISCALING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-05-05 — — US disclosed
EP-0648241-B1 MODIFIED POLYASPARTIC ACIDS, PROCESS FOR PREPARING THE SAME AND THEIR USE BASF AG (DE) 1997-08-27 — — EP disclosed
WO-1996035737-A1 PROCESS FOR PREPARING ASPARTIC ACID POLYCONDENSATES BASF AKTIENGESELLSCHAFT (DE) 1996-11-14 — — WO disclosed
EP-0648241-A1 MODIFIED POLYASPARTIC ACIDS, PROCESS FOR PREPARING THE SAME AND THEIR USE. BASF AG (DE) 1995-04-19 — — EP disclosed
WO-1994001486-A1 MODIFIED POLYASPARTIC ACIDS, PROCESS FOR PREPARING THE SAME AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-01-20 — — WO disclosed
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