SCHEMBL30897435

SCHEMBL30897435

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.39
▸ KCNN4 O15554 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ MALT1 Q9UDY8 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ GRM2 Q14416 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
SCHEMBL30886895 1.00 CNR1 (0.39) CNR1KCNN4GABRA2GABRB2L3MBTL1
SCHEMBL30897433 1.00 CNR1 (0.39) CNR1KCNN4GABRA2GABRB2L3MBTL1
SCHEMBL30439038 0.94 CNR1 (0.43) CNR1KCNN4MALT1KDM4EPOLB
SCHEMBL31647489 0.93 AKR1B1 (0.38) CNR1KCNN4AKR1B1PTGER1
SCHEMBL30504668 0.91 CNR1 (0.41) CNR1KCNN4PTGER1
SCHEMBL31390542 0.91 KCNN4 (0.39) CNR1KCNN4L3MBTL1PTGER1TSHR
SCHEMBL30504677 0.91 CNR1 (0.41) CNR1KCNN4PTGER1
SCHEMBL30897439 0.90 AKR1B1 (0.42) CNR1AKR1B1PTGER1
SCHEMBL23447245 0.89 CNR1 (0.46) CNR1KCNN4KDM4ELPAR2
SCHEMBL29999593 0.89 CNR1 (0.46) CNR1KCNN4KDM4ELPAR2

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
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