SCHEMBL27216228

SCHEMBL27216228

O=C(O)CC(O)C(O)C(=O)CO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CYP2C9 P11712 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
GABRR1 P24046 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
PDE4A P27815 1/20 0.34
MAPT P10636 1/20 0.33
OR51E2 Q9H255 1/20 0.31
GPR84 Q9NQS5 2/20 0.30

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
SCHEMBL4360901 1.00 TSHR (0.50) TSHRCYP2C9SLC22A6SMN1; SMN2GABRR1
SCHEMBL11298249 0.78 CYP2C9 (0.43) TSHRCYP2C9TDP1
SCHEMBL299290 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL2961724 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL31338625 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL23723109 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL37387 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL37388 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL3649734 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A
SCHEMBL44299 0.76 CYP2C9 (0.50) TSHRCYP2C9LMNATDP1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156877-A1 COMPOSITIONS AND USES THEREFOR MELCARE MEDICAL PTY LTD (AU) 2024-05-16 US disclosed
EP-4368178-A1 COMPOSITIONS OF HONEY AND GLUCONIC ACID AND USES THEREFOR Melcare Medical Pty Ltd (AU) 2024-05-15 EP disclosed
CN-118001410-A Composition and use thereof 麦尔凯亚医学股份有限公司 2024-05-10 CN disclosed