SCHEMBL7522993

SCHEMBL7522993

O=C(O)COCC(=O)O.[Zr]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CTH P32929 1/20 0.50
CBS P35520 1/20 0.50
THPO P40225 1/20 0.50
THRB P10828 1/20 0.47
PTGS1 P23219 1/20 0.41
LMNA P02545 2/20 0.38
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALOX15 P16050 1/20 0.38
FFAR3 O14843 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
NPC1 O15118 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
KMT2A Q03164 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
SCHEMBL26928 0.96
Potassium SCHEMBL29727131 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
Water SCHEMBL8146640 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL28908959 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
Ammonia Solution, Strong SCHEMBL11325579 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL516734 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL11884627 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
Ammonia Solution, Strong SCHEMBL11325580 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL611619 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL30212102 0.92 TSHR (0.50) TSHRCTHCBSTHPOTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934438-B1 TOPICAL CARPET TREATMENT MINNESOTA MINING & MFG (US) 2002-03-27 EP disclosed
EP-0934438-A1 TOPICAL CARPET TREATMENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-08-11 EP disclosed
WO-1997028303-A1 TOPICAL CARPET TREATMENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-07 WO disclosed
US-4284585-A Process for the preparation of acetic anhydride HALCON RESEARCH AND DEVELOPMENT CORP. (US) 1981-08-18 US disclosed