Perchlorate

Perchlorate

SCHEMBL10991932

CN(C)/C=C(\C=[N+](C)C)OCc1ccccc1.[O-][Cl+3]([O-])([O-])[O-]

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TGM2 P21980 2/20 0.32
▸ F13A1 P00488 1/20 0.32
▸ TGM1 P22735 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32

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
Perchlorate SCHEMBL11051679 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDHCAR2CA1
Perchlorate SCHEMBL10991937 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL4047404 0.94 ALDH1A1 (0.42) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL4047407 0.94 ALDH1A1 (0.42) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL10991940 0.83 ALDH1A1 (0.34) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL2393858 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL21164210 0.76 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL2393862 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2CA1
SCHEMBL5902084 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHCAR2CA1
Perchlorate SCHEMBL10414004 0.76 CYP2C9 (0.34) —

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
US-4558039-A SYSTEMIC AND FOLIAR ACTIVITY FOR PLANTS AGAINST INSECT PESTS THE DOW CHEMICAL COMPANY (US) 1985-12-10 — — US disclosed
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