SCHEMBL28530484

SCHEMBL28530484

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nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
FDPS P14324 1/20 0.33
DAO P14920 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL3308860 0.74
SCHEMBL17494121 0.74
SCHEMBL16079088 0.74
SCHEMBL11412963 0.74
SCHEMBL537366 0.73 ALDH1A1 (0.32)
SCHEMBL27176240 0.72 FDPS (0.35) TSHRFDPSDAOGAAMAPT
SCHEMBL28243388 0.72 FDPS (0.35) TSHRFDPSDAOGAAMAPT
SCHEMBL1990724 0.70
SCHEMBL23264871 0.69 FDPS (0.33) TSHRFDPSDAOGAAMAPT
Acrylonitrile SCHEMBL27965907 0.69 TSHR (0.39) TSHRFDPSDAOGAAMAPT

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-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed