SCHEMBL24192973

SCHEMBL24192973

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1O)C(=O)N[C@@H](C)C(=O)Nc1ccc(C(=O)NCCC[C@H](NC(=O)c2ccc(CCc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)O)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.46

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
SCHEMBL24193176 0.95 DHFR (0.45) DHFR
SCHEMBL24192586 0.94 DHFR (0.49) DHFR
SCHEMBL24193097 0.94 DHFR (0.48) DHFR
SCHEMBL24343756 0.93 DHFR (0.48) DHFR
SCHEMBL24193106 0.93 DHFR (0.50) DHFR
SCHEMBL25833356 0.88 DHFR (0.37) DHFR
SCHEMBL24344187 0.86 DHFR (0.53) DHFR
SCHEMBL30311139 0.86 DHFR (0.53) DHFR
SCHEMBL25729042 0.86 DHFR (0.53) DHFR
SCHEMBL24193179 0.86 DHFR (0.50) DHFR

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
WO-2022008419-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-01-13 — — WO disclosed
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