SCHEMBL29131719

SCHEMBL29131719

C=CC[C@H](CO)OC(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
MAPK1 P28482 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
SCHEMBL29131720 1.00 MAPT (0.32) MAPTMAPK1
SCHEMBL6841475 0.79
SCHEMBL28529440 0.79 GRIK1 (0.33) MAPTMAPK1
SCHEMBL28529438 0.79 GRIK1 (0.33) MAPTMAPK1
SCHEMBL28533294 0.79 GRIK1 (0.33) MAPTMAPK1
SCHEMBL561185 0.76 CTSK (0.40) MAPTMAPK1
SCHEMBL5152027 0.75 TSHR (0.37) MAPTMAPK1
SCHEMBL8662436 0.73 HCAR2 (0.46)
SCHEMBL9358678 0.73 TSHR (0.42)
SCHEMBL1338339 0.72 TSHR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813518-A Synthesis method of nemaltevir chiral intermediate 江苏暨明医药科技有限公司 2023-09-29 CN disclosed