SCHEMBL31310036

SCHEMBL31310036

O=C(NCCSSCCNc1c(F)c(F)c(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F)OCC1[C@H]2CCC#CCC[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ DHODH Q02127 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
SCHEMBL19278977 1.00 CYCS (0.32) CYCSESR1ESR2DHODH
SCHEMBL19278950 1.00 CYCS (0.32) CYCSESR1ESR2DHODH
SCHEMBL19289768 0.93 ESR1 (0.32) CYCSESR1ESR2DHODH
SCHEMBL19289594 0.93 ESR1 (0.32) CYCSESR1ESR2DHODH
SCHEMBL19278953 0.92 ESR1 (0.34) CYCSESR1ESR2DHODH
SCHEMBL31310041 0.92 ESR1 (0.34) CYCSESR1ESR2DHODH
SCHEMBL19278954 0.92 ESR1 (0.34) CYCSESR1ESR2DHODH
SCHEMBL22301052 0.90 CYCS (0.32) CYCSESR1ESR2
SCHEMBL22301053 0.90 CYCS (0.32) CYCSESR1ESR2
SCHEMBL19296890 0.86 CYCS (0.31) CYCSESR1ESR2

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
EP-3210626-B1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY BIOLITEC HOLDING GMBH & CO KG (AT) 2024-11-27 — — EP disclosed
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