SCHEMBL31551580

SCHEMBL31551580

CCOC(=O)C(NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F)[C@@H](C)OC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.34
▸ RIPK1 Q13546 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PER2 O15055 1/20 0.30

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
SCHEMBL30862579 0.94 P2RX7 (0.33) P2RX7RIPK1ALDH1A1
SCHEMBL31551474 0.92 RIPK1 (0.35) P2RX7RIPK1ALDH1A1TDP1
SCHEMBL31551426 0.91 P2RX7 (0.33) P2RX7RIPK1
SCHEMBL31551180 0.91 P2RX7 (0.32) P2RX7RIPK1
SCHEMBL30862568 0.91 P2RX7 (0.33) P2RX7RIPK1ALDH1A1
SCHEMBL31551574 0.90 RIPK1 (0.32) P2RX7RIPK1
SCHEMBL31551381 0.90 P2RX7 (0.30) P2RX7RIPK1
SCHEMBL31551544 0.89 CTSL (0.32) RIPK1
SCHEMBL31551458 0.89 P2RX7 (0.37) P2RX7ALDH1A1
SCHEMBL31551590 0.89 CTSL (0.32) RIPK1

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
Send feedback