SCHEMBL25399371

SCHEMBL25399371

O=C(O)COc1cc(Cl)c(Cc2ccc(O)c(-c3ccc(Cl)cc3)c2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.65
THRA P10827 13/20 0.65
MAP4K4 O95819 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL23003630 0.92 THRA (0.66) THRBTHRAPTGDR2
SCHEMBL30574232 0.92 THRA (0.66) THRBTHRAPTGDR2
SCHEMBL25398425 0.91 THRB (0.62) THRBTHRAMAP4K4
SCHEMBL31350392 0.89 THRA (0.52) THRBTHRAMAP4K4
SCHEMBL25400128 0.89 THRB (0.60) THRBTHRA
SCHEMBL25398704 0.89 THRB (0.60) THRBTHRA
SCHEMBL25397334 0.88 THRB (0.62) THRBTHRA
SCHEMBL23003650 0.87 THRA (0.61) THRBTHRAPTGDR2
SCHEMBL30574240 0.87 THRA (0.61) THRBTHRAPTGDR2
SCHEMBL25400891 0.86 THRB (0.60) THRBTHRA

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
WO-2023177667-A1 THYROID HORMONE RECEPTOR AGONISTS BRII BIOSCIENCES, INC. (US) 2023-09-21 WO claimed
WO-2023177667-A1 THYROID HORMONE RECEPTOR AGONISTS BRII BIOSCIENCES, INC. (US) 2023-09-21 WO disclosed
WO-2023177667-A1 THYROID HORMONE RECEPTOR AGONISTS BRII BIOSCIENCES, INC. (US) 2023-09-21 WO disclosed