SCHEMBL28452833

SCHEMBL28452833

C[Si](C)(C)c1cccc(C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.46
▸ NAPRT Q6XQN6 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ ASPH Q12797 1/20 0.43
▸ KDM8 Q8N371 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CES2 O00748 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ TTR P02766 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
SCHEMBL8932086 0.80 ACHE (0.46) ALBKDM4EALOX15CES2BCHE
SCHEMBL106081 0.79 ALDH1A1 (0.56) NAPRTKDM4EALDH1A1ALOX15HPGD
SCHEMBL336107 0.79 ALDH1A1 (0.60) ALBNAPRTKDM4EALDH1A1ALOX15
SCHEMBL28423608 0.78 ALDH1A1 (0.44) ALBNAPRTKDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL9411948 0.78 ALDH1A1 (0.54) NAPRTKDM4EALDH1A1ALOX15HPGD
SCHEMBL28220308 0.74 KDM4E (0.37) ALBNAPRTKDM4EALDH1A1ALOX15
SCHEMBL698709 0.74 KDM4E (0.61) ALBNAPRTKDM4EALDH1A1ALOX15
SCHEMBL2830597 0.73 ALB (0.55) ALBNAPRTKDM4EALDH1A1ALOX15
SCHEMBL28926555 0.73 TSHR (0.39) ALBNAPRTKDM4EALDH1A1ALOX15
SCHEMBL5026625 0.73 ALDH1A1 (0.39) ALBNAPRTKDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084013-B Synthetic method of 3-bromo-2-fluorobenzoic acid 蓬莱市前卫化工有限公司 2020-09-01 — — CN claimed
CN-108084013-B Synthetic method of 3-bromo-2-fluorobenzoic acid 蓬莱市前卫化工有限公司 2020-09-01 — — CN disclosed
CN-108084013-B Synthetic method of 3-bromo-2-fluorobenzoic acid 蓬莱市前卫化工有限公司 2020-09-01 — — CN disclosed
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