SCHEMBL29002234

SCHEMBL29002234

O=C(O)c1c(F)c(-c2ccccc2F)c(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.45
▸ ACMSD Q8TDX5 1/20 0.42
▸ TTR P02766 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ DHFR P00374 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALB P02768 1/20 0.36

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
SCHEMBL6538411 0.75 CA12 (0.44) TTRRAB9AALDH1A1MAPTL3MBTL1
SCHEMBL11223890 0.75 ACMSD (0.47) DHODHACMSDPOLBNPC1RAB9A
SCHEMBL11230003 0.75 ACMSD (0.54) DHODHACMSDPOLBNPC1RAB9A
SCHEMBL10727565 0.74 DHODH (0.46) DHODHNPC1RAB9ADHFRALKBH5
SCHEMBL29697829 0.74 DHODH (0.42) DHODHACMSDNPC1RAB9ADHFR
SCHEMBL25620982 0.73 ACMSD (0.41) ACMSDPOLBNPC1RAB9ACES2
SCHEMBL26632144 0.73 ACMSD (0.53) DHODHACMSDTTRNPC1RAB9A
SCHEMBL28566012 0.72 CA12 (0.59) ACMSDNPC1RAB9ACES2CES1
SCHEMBL4428959 0.71 ACMSD (0.55) DHODHACMSDTTRNPC1RAB9A
SCHEMBL28119663 0.71 MYC (0.46) DHODHACMSDNPC1RAB9ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349726-B 2,2' -difluoro-4, 4', 5' -biphenyl tetracarboxylic dianhydride monomer, and preparation method and application thereof 华南理工大学 2023-05-23 — — CN claimed
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