SCHEMBL10487495

SCHEMBL10487495

C[C@@H]1C[C@@](O)(CC(=O)O)c2cc(F)ccc2S1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 0.59

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
SCHEMBL10487498 0.84 AKR1B1 (0.43) AKR1B1
SCHEMBL10487538 0.74 AKR1B1 (1.00) AKR1B1
SCHEMBL10487403 0.73 AKR1B1 (0.58) AKR1B1
SCHEMBL27334379 0.73 AKR1B1 (0.61) AKR1B1
SCHEMBL10487493 0.72 AKR1B1 (0.57) AKR1B1
SCHEMBL10487502 0.72 AKR1B1 (1.00) AKR1B1
SCHEMBL10487428 0.70 AKR1B1 (1.00) AKR1B1
SCHEMBL10487506 0.69 AKR1B1 (1.00) AKR1B1
SCHEMBL10487554 0.69 AKR1B1 (1.00) AKR1B1
SCHEMBL10487480 0.68 AKR1B1 (1.00) AKR1B1

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-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed