SCHEMBL25833356

SCHEMBL25833356

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)cc2O)C(=O)O)c(-c2nn[nH]n2)c1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.37

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
SCHEMBL25832291 0.94 DHFR (0.38) DHFR
SCHEMBL25731882 0.94 DHFR (0.39) DHFR
SCHEMBL24193098 0.91 DHFR (0.42) DHFR
SCHEMBL25725529 0.90 DHFR (0.34) DHFR
SCHEMBL24192582 0.90 DHFR (0.46) DHFR
SCHEMBL24192579 0.89 DHFR (0.44) DHFR
SCHEMBL24192578 0.89 DHFR (0.45) DHFR
SCHEMBL30311381 0.89 DHFR (0.45) DHFR
SCHEMBL25837374 0.89 DHFR (0.41) DHFR
SCHEMBL25837520 0.89 DHFR (0.39) 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-2023126297-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-07-06 — — WO disclosed
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