SCHEMBL38650543

SCHEMBL38650543

CC(C)c1cc(Oc2c(Cl)cc(NCC#N)cc2Cl)nnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 17/20 0.45
▸ THRB P10828 17/20 0.45
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL21749444 1.00 THRA (0.45) THRATHRBCYP2C8CYP2C9
SCHEMBL13116374 0.82 THRB (0.42) THRATHRBCYP2C8CYP2C9
SCHEMBL13116495 0.81 THRB (0.68) THRATHRB
SCHEMBL21749473 0.81 THRA (0.40) THRATHRBCYP2C8CYP2C9
SCHEMBL38650553 0.81 THRA (0.40) THRATHRBCYP2C8CYP2C9
SCHEMBL13116371 0.81 THRB (0.40) THRATHRBCYP2C8CYP2C9
SCHEMBL22668299 0.81 THRB (0.38) THRATHRBCYP2C8CYP2C9
SCHEMBL21749401 0.80 THRB (0.45) THRATHRB
SCHEMBL21749420 0.78 THRA (0.64) THRATHRBCYP2C8CYP2C9
SCHEMBL30898309 0.78 THRB (0.43) THRATHRB

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-112805005-B Thyroxine receptor beta agonist compounds 拓臻股份有限公司 2026-05-12 — — CN disclosed
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