SCHEMBL30492192

SCHEMBL30492192

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1cnc(NCCCC[C@H](NC(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.44

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
SCHEMBL25290457 1.00 DHFR (0.44) DHFR
SCHEMBL25249798 1.00 DHFR (0.44) DHFR
SCHEMBL30311521 0.93 DHFR (0.45) DHFR
SCHEMBL25729435 0.92 DHFR (0.49) DHFR
SCHEMBL24343788 0.92 DHFR (0.49) DHFR
SCHEMBL30311386 0.92 DHFR (0.49) DHFR
SCHEMBL25290484 0.92 DHFR (0.46) DHFR
SCHEMBL30311241 0.92 DHFR (0.46) DHFR
SCHEMBL24344737 0.92 DHFR (0.46) DHFR
SCHEMBL24343429 0.91 DHFR (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457229-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES Byondis B.V. (NL) 2024-11-06 — — EP disclosed
WO-2023126297-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-07-06 — — WO disclosed
Send feedback