SCHEMBL6932112

SCHEMBL6932112

COC(=O)OCCCCCCCCF

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 11/20 0.38
NAAA Q02083 1/20 0.38
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1975020 0.91
SCHEMBL3454834 0.89 EPHX1 (0.46) EPHX1FAAHACHENAAATSHR
SCHEMBL3454627 0.89 EPHX1 (0.46) EPHX1FAAHACHENAAATSHR
SCHEMBL29315079 0.89 EPHX1 (0.46) EPHX1FAAHACHENAAATSHR
SCHEMBL25906823 0.89 EPHX1 (0.46) EPHX1FAAHACHENAAATSHR
SCHEMBL608138 0.86 TSHR (0.41) EPHX1FAAHACHENAAATSHR
SCHEMBL608479 0.86 TSHR (0.41) EPHX1FAAHACHENAAATSHR
SCHEMBL3453959 0.86 EPHX1 (0.43) EPHX1FAAHACHENAAATSHR
SCHEMBL475356 0.84 ALDH1A1 (0.37) EPHX1FAAHACHENAAATSHR
SCHEMBL15689729 0.83 PAOX (0.47) EPHX1ACHENAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed