SCHEMBL30897439

SCHEMBL30897439

O=C(O)COc1nc(-c2ccc(Br)cc2F)n(-c2ccc(Cl)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.42
▸ PTGDR2 Q9Y5Y4 7/20 0.38
▸ KMO O15229 2/20 0.36
▸ PTGER1 P34995 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AKR1A1 P14550 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
SCHEMBL25246711 0.94 PTGDR2 (0.41) PTGDR2KMOCNR1TDP1
SCHEMBL31647489 0.91 AKR1B1 (0.38) AKR1B1PTGDR2PTGER1CNR1AKR1A1
SCHEMBL31419738 0.90 PTGER1 (0.40) AKR1B1PTGDR2KMOPTGER1TDP1
SCHEMBL25248016 0.90 PTGDR2 (0.43) PTGDR2KMOPTGER1CNR1TDP1
SCHEMBL31390544 0.90 PTGER1 (0.40) AKR1B1PTGDR2KMOPTGER1TDP1
SCHEMBL25250556 0.90 PTGDR2 (0.43) PTGDR2KMOPTGER1CNR1TDP1
SCHEMBL30886895 0.90 CNR1 (0.39) AKR1B1PTGER1CNR1
SCHEMBL30897435 0.90 CNR1 (0.39) AKR1B1PTGER1CNR1
SCHEMBL30897433 0.90 CNR1 (0.39) AKR1B1PTGER1CNR1
SCHEMBL23411404 0.88 TDP1 (0.42) PTGDR2KMOCNR1TDP1

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-4605379-A1 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, PROTECTION AGENTS COMPRISING THEM, FOR USEFUL PLANTS OR CROP PLANTS, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS Bayer Aktiengesellschaft (DE) 2025-08-27 — — EP disclosed
WO-2024083671-A1 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, PROTECTION AGENTS COMPRISING THEM, FOR USEFUL PLANTS OR CROP PLANTS, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2024-04-25 — — WO disclosed
Send feedback