SCHEMBL31132205

SCHEMBL31132205

COc1c(O)cc(C=O)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ AOX1 Q06278 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.44
▸ TRIM24 O15164 1/20 0.44
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ ERN1 O75460 1/20 0.41
▸ TNFRSF1A P19438 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ CA4 P22748 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL2807788 1.00 TPMT (0.54) TPMTALDH1A1MAPK1AOX1HPGD
SCHEMBL2588646 0.86 MAPT (0.55) TPMTALDH1A1MAPK1HPGDMAPT
SCHEMBL5155052 0.86 ALDH1A1 (0.57) ALDH1A1AOX1HPGDTDP1TRIM24
SCHEMBL1050289 0.79 ALDH1A1 (0.59) TPMTALDH1A1MAPK1AOX1HPGD
SCHEMBL3637463 0.79 CA1 (0.55) ALDH1A1AOX1HPGDTDP1TRIM24
SCHEMBL29361496 0.79 ALDH1A1 (0.59) TPMTALDH1A1MAPK1AOX1HPGD
SCHEMBL6291227 0.79 SRC (0.53) ALDH1A1AOX1HPGDTDP1TRIM24
SCHEMBL524712 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1HPGDMAPTTDP1
SCHEMBL30122857 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1HPGDMAPTTDP1
SCHEMBL12552993 0.79 SRC (0.49) TPMTALDH1A1MAPK1HPGDMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680020-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2026-01-21 — — EP claimed
WO-2024189207-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2024-09-19 — — WO claimed
EP-4719056-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2026-04-08 — — EP disclosed
EP-4719057-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2026-04-08 — — EP disclosed
EP-4680020-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2026-01-21 — — EP disclosed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 — — WO disclosed
WO-2025096485-A1 LIQUID-FERTILIZER READY AGROCHEMICAL FORMULATIONS FMC CORPORATION (US) 2025-05-08 — — WO disclosed
WO-2025006655-A1 ENCAPSULATED COMPOSITIONS INCLUDING LAMELLAR LIQUID CRYSTALS FMC CORPORATION (US) 2025-01-02 — — WO disclosed
WO-2024254035-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2024-12-12 — — WO disclosed
WO-2024254039-A1 MICROENCAPSULATED PHEROMONE FORMULATIONS FMC Agricultural Solutions A/S (DK) 2024-12-12 — — WO disclosed
WO-2024189207-A1 COMPOSITIONS INCLUDING ALDEHYDES WITH IMPROVED RELEASE RATE AND DEGRADATION PROPERTIES FMC Agricultural Solutions A/S (DK) 2024-09-19 — — WO disclosed
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