SCHEMBL30445962

SCHEMBL30445962

CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCC.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL30288312 1.00 TSHR (0.32) TSHRTHRB
SCHEMBL30288305 1.00 TSHR (0.32) TSHRTHRB
SCHEMBL30288297 1.00 TSHR (0.32) TSHRTHRB
SCHEMBL818316 1.00 TSHR (0.32) TSHRTHRB
SCHEMBL815813 1.00 TSHR (0.32) TSHRTHRB
SCHEMBL29850388 1.00 TSHR (0.32) TSHRTHRB
Octane SCHEMBL29076189 0.87 TSHR (0.42) TSHRTHRB
SCHEMBL30621836 0.86 TSHR (0.31) TSHRTHRB
SCHEMBL29715874 0.86 TSHR (0.31) TSHRTHRB
SCHEMBL29733537 0.86 TSHR (0.31) TSHRTHRB

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-116323707-A Supported catalyst systems and methods of use thereof 埃克森美孚化学专利公司 2023-06-23 CN disclosed