Fluoride

Fluoride

SCHEMBL29965325

F.O=C1c2ccccc2C(=O)N1CCOCCOCCF

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GLS O94925 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL30274343 0.98 RAB9A (0.54) RAB9ANPC1HPGDGAANPSR1
SCHEMBL25042416 0.98 RAB9A (0.54) RAB9ANPC1HPGDGAANPSR1
SCHEMBL8862940 0.89 GAA (0.60) RAB9ANPC1HPGDGAANPSR1
SCHEMBL8862746 0.89 GAA (0.60) RAB9ANPC1HPGDGAANPSR1
SCHEMBL8862856 0.89 GAA (0.60) RAB9ANPC1HPGDGAANPSR1
SCHEMBL7519591 0.89 GAA (0.60) RAB9ANPC1HPGDGAANPSR1
SCHEMBL2743018 0.88 HPGD (0.61) RAB9ANPC1HPGDGAANPSR1
SCHEMBL5371487 0.85 SMN1; SMN2 (0.54) RAB9ANPC1HPGDGAANPSR1
SCHEMBL12317642 0.85 GAA (0.51) RAB9ANPC1HPGDGAANPSR1
SCHEMBL19541802 0.85 SMN1; SMN2 (0.54) RAB9ANPC1HPGDGAANPSR1

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-113045477-B Preparation method of fluorine-containing primary amine intermediate 中蓝晨光化工研究设计院有限公司 2022-11-01 — — CN disclosed
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