SCHEMBL31551298

SCHEMBL31551298

CC(C)CSC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.46
▸ POLB P06746 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL31551534 0.89 P2RX7 (0.50) P2RX7POLBGPR119SLC1A2ALDH1A1
SCHEMBL31551488 0.89 P2RX7 (0.44) P2RX7POLBGPR119SLC1A2ALDH1A1
SCHEMBL31551377 0.89 P2RX7 (0.44) P2RX7POLBSLC1A2ALDH1A1
SCHEMBL31551232 0.89 P2RX7 (0.44) P2RX7POLBGPR119SLC1A2ALDH1A1
SCHEMBL31551177 0.88 P2RX7 (0.44) P2RX7POLBGPR119
SCHEMBL31551239 0.88 P2RX7 (0.44) P2RX7POLBGPR119
SCHEMBL31551457 0.88 P2RX7 (0.44) P2RX7POLBALDH1A1
SCHEMBL31551291 0.88 P2RX7 (0.50) P2RX7POLBGPR119SLC1A2ALDH1A1
SCHEMBL31551428 0.86 P2RX7 (0.48) P2RX7POLBGPR119SLC1A2ALDH1A1
Lithium Ion SCHEMBL31551185 0.86 P2RX7 (0.48) P2RX7POLBGPR119SLC1A2ALDH1A1

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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