SCHEMBL31551428

SCHEMBL31551428

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.48
▸ SLC1A2 P43004 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL31551262 0.91 P2RX7 (0.52) P2RX7SLC1A2POLBGPR119ALDH1A1
SCHEMBL31551291 0.91 P2RX7 (0.50) P2RX7SLC1A2POLBGPR119ALDH1A1
SCHEMBL31551659 0.90 P2RX7 (0.46) P2RX7SLC1A2POLBGPR119ALDH1A1
SCHEMBL31551406 0.90 P2RX7 (0.48) P2RX7SLC1A2POLBGPR119ALDH1A1
SCHEMBL31551394 0.90 P2RX7 (0.46) P2RX7SLC1A2POLBGPR119ALDH1A1
SCHEMBL31551181 0.89 P2RX7 (0.46) P2RX7SLC1A2POLBGPR119
SCHEMBL31551620 0.89 P2RX7 (0.46) P2RX7SLC1A2POLBGPR119ALDH1A1
SCHEMBL31551579 0.89 P2RX7 (0.46) P2RX7SLC1A2POLBGPR119
SCHEMBL31551594 0.89 P2RX7 (0.46) P2RX7SLC1A2POLBGPR119
SCHEMBL31551611 0.89 P2RX7 (0.48) P2RX7SLC1A2POLBGPR119

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-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
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