Fluoride

Fluoride

SCHEMBL9617438

CCCOC(F)(C(=O)O)C(F)(F)F.F

nearest known ligand 0.33

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1784672 0.98 LMNA (0.34) LMNACES2HCAR2ALDH1A1
Hydrochloric Acid SCHEMBL10522738 0.96 LMNA (0.33) LMNACES2HCAR2ALDH1A1
Ammonia Solution, Strong SCHEMBL1580153 0.96 LMNA (0.33) LMNACES2HCAR2ALDH1A1
SCHEMBL7262141 0.86 CES2 (0.39) CES2HCAR2ALDH1A1
SCHEMBL9563388 0.84 CES2 (0.46) CES2HCAR2
SCHEMBL9563397 0.82 CES2 (0.49) CES2HCAR2
Fluoride SCHEMBL27286213 0.82 CES2 (0.32) CES2
SCHEMBL236895 0.81 CES2 (0.33) LMNACES2ALDH1A1
SCHEMBL21065621 0.81 CES2 (0.33) LMNACES2ALDH1A1
SCHEMBL9323503 0.80 FAAH (0.32) LMNACES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4035388-A Process for preparing perfluoro-alkoxy-propionic acid fluorides HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
JP-4235934-A None JP disclosed
JP-H04235934-A PERFLUORO-1-IODO-5-METHYL-3,6-DIOXANONANE AND ITS PRODUCTION ASAHI GLASS CO LTD 1992-08-25 JP disclosed
EP-0082252-B1 PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND Daikin Kogyo Co., Ltd. (JP) 1985-08-21 EP disclosed
US-4484993-A ULTRASONIC ENERGY DAIKIN KOGYO CO., LTD. (JP) 1984-11-27 US disclosed
EP-0082252-A1 Process for producing fluorine-containing organic compound Daikin Kogyo Co., Ltd. (JP) 1983-06-29 EP disclosed
US-4035388-A Process for preparing perfluoro-alkoxy-propionic acid fluorides HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-4033984-A LUBRICANTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed