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Fluoride

Fluoride

SCHEMBL9842061

CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc([S])cc3)cc2)CC1.CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc([S])cc3)cc2)CC1.CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc([S])cc3)cc2)CC1.CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc([S])cc3)cc2)CC1.CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc([S])cc3)cc2)CC1.F.F.F.F.F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ MAPT P10636 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PRSS1 P07477 2/20 0.42
▸ ACR P10323 2/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HPGD P15428 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
Fluoride SCHEMBL9842113 0.96 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1PRSS1
Fluoride SCHEMBL9841706 0.96 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1PRSS1
Fluoride SCHEMBL9841471 0.96 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1PRSS1
Fluoride SCHEMBL9841669 0.93 CYP2C9 (0.57) CYP2C9MAPTLMNAALDH1A1PRSS1
SCHEMBL11405597 0.88 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1PRSS1
SCHEMBL11412253 0.88 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1PRSS1
SCHEMBL11411517 0.88 PRSS1 (0.55) CYP2C9MAPTLMNAALDH1A1PRSS1
SCHEMBL11410614 0.88 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1PRSS1
SCHEMBL11408041 0.88 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1PRSS1
SCHEMBL11404201 0.88 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1PRSS1

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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 — — US disclosed
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