SCHEMBL25070448

SCHEMBL25070448

CCCN(CCC)c1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(N(CCC)CCC)cc5F)s4)c4nc(CC)c(CC)nc34)s2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CRHR1 P34998 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
SCHEMBL24990322 0.94 ESR1 (0.30) ESR1ESR2
SCHEMBL20176722 0.80 RARB (0.34) ESR1ESR2
SCHEMBL25070534 0.79 RARB (0.31) —
SCHEMBL25070593 0.78 ESR1 (0.35) ESR1ESR2
SCHEMBL25070324 0.77 ESR1 (0.30) ESR1ESR2
SCHEMBL25070323 0.77 ESR1 (0.36) ESR1ESR2
SCHEMBL25070578 0.76 CRHR1 (0.30) CRHR1
SCHEMBL18217186 0.75 CRHR1 (0.30) CRHR1
SCHEMBL24991298 0.75 — —
SCHEMBL25070613 0.75 ESR1 (0.33) ESR1ESR2CRHR1

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
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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