SCHEMBL24193097

SCHEMBL24193097

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(NCc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 3/20 0.48

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
SCHEMBL24192973 0.94 DHFR (0.46) DHFR
SCHEMBL24193106 0.93 DHFR (0.50) DHFR
SCHEMBL24193179 0.93 DHFR (0.50) DHFR
SCHEMBL24192975 0.93 DHFR (0.51) DHFR
SCHEMBL24193098 0.92 DHFR (0.42) DHFR
SCHEMBL24192569 0.92 DHFR (0.54) DHFR
SCHEMBL25291198 0.91 DHFR (0.51) DHFR
SCHEMBL24343429 0.91 DHFR (0.51) DHFR
SCHEMBL24193176 0.89 DHFR (0.45) DHFR
SCHEMBL30311369 0.88 DHFR (0.48) 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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