SCHEMBL31419738

SCHEMBL31419738

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.40
▸ PKM P14618 1/20 0.39
▸ AKR1B1 P15121 3/20 0.39
▸ AKR1A1 P14550 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL31390544 1.00 PTGER1 (0.40) PTGER1PKMAKR1B1AKR1A1LPAR2
SCHEMBL30897439 0.90 AKR1B1 (0.42) PTGER1AKR1B1AKR1A1PTGDR2KMT2A
SCHEMBL31390542 0.89 KCNN4 (0.39) PTGER1L3MBTL1TSHR
SCHEMBL31647489 0.89 AKR1B1 (0.38) PTGER1AKR1B1AKR1A1PTGDR2
SCHEMBL25250556 0.88 PTGDR2 (0.43) PTGER1PTGDR2KMOTDP1
SCHEMBL25248016 0.88 PTGDR2 (0.43) PTGER1PTGDR2KMOTDP1
SCHEMBL31390540 0.85 MALT1 (0.38) PTGER1
Acetic Acid SCHEMBL31647596 0.85 PTGER1 (0.37) PTGER1KMT2AL3MBTL1
SCHEMBL25246711 0.83 PTGDR2 (0.41) PTGDR2KMOPOLBTSHRTDP1
SCHEMBL24407576 0.80 LPAR2 (0.37) PKMAKR1B1LPAR2PTGDR2KMO

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
WO-2025132162-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2025-06-26 — — WO claimed
WO-2025040301-A1 HERBICIDE/SAFENER COMBINATIONS BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACIDS AND HERBICIDES FROM THE CLASS OF SUBSTITUTED CYCLIC DIONES AND THE SALTS THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2025-02-27 — — WO claimed
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