SCHEMBL29633458

SCHEMBL29633458

COC(=O)COc1nc(-c2ccc(Cl)cn2)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.40
▸ CNR2 P34972 5/20 0.40
▸ P2RX7 Q99572 2/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ MALT1 Q9UDY8 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
SCHEMBL24406712 1.00 CNR1 (0.40) CNR1CNR2P2RX7GPR35KCNN4
SCHEMBL24406744 0.89 CNR1 (0.38) CNR1CNR2P2RX7GPR35RIPK1
SCHEMBL24406742 0.89 PTGDR2 (0.41) CNR1CNR2P2RX7RIPK1
SCHEMBL24406771 0.86 PTGIR (0.34) CNR1CNR2
SCHEMBL29633466 0.86 PTGIR (0.34) CNR1CNR2
SCHEMBL30504668 0.86 CNR1 (0.41) CNR1CNR2P2RX7KCNN4
SCHEMBL30504677 0.86 CNR1 (0.41) CNR1CNR2P2RX7KCNN4
SCHEMBL29525358 0.85 P2RX7 (0.40) CNR1CNR2P2RX7MALT1
SCHEMBL24409835 0.85 P2RX7 (0.40) CNR1CNR2P2RX7MALT1
SCHEMBL29525135 0.85 P2RX7 (0.40) CNR1CNR2P2RX7MALT1

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-4240726-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 — — EP disclosed
WO-2022096446-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 — — WO disclosed
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