SCHEMBL31310041

SCHEMBL31310041

O=C(NCCCCCCNc1c(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 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CYCS P99999 1/20 0.32
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL19278953 1.00 ESR1 (0.34) ESR1ESR2CYCSDHODH
SCHEMBL19278954 1.00 ESR1 (0.34) ESR1ESR2CYCSDHODH
SCHEMBL19289584 0.92 ESR1 (0.34) ESR1ESR2CYCSDHODH
SCHEMBL19278950 0.92 CYCS (0.32) ESR1ESR2CYCSDHODH
SCHEMBL31310036 0.92 CYCS (0.32) ESR1ESR2CYCSDHODH
SCHEMBL19278977 0.92 CYCS (0.32) ESR1ESR2CYCSDHODH
SCHEMBL19293913 0.86 ESR1 (0.35) ESR1ESR2
SCHEMBL22301053 0.84 CYCS (0.32) ESR1ESR2CYCS
SCHEMBL22301052 0.84 CYCS (0.32) ESR1ESR2CYCS
SCHEMBL19289594 0.84 ESR1 (0.32) ESR1ESR2CYCSDHODH

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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