SCHEMBL7703678

SCHEMBL7703678

CC(=O)C(C(=O)C(F)(F)F)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 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
SCHEMBL28511328 0.80 ALOX5 (0.36)
SCHEMBL19926140 0.73 CPN1 (0.33)
SCHEMBL14616651 0.72 CA2 (0.35)
SCHEMBL29174838 0.71 ALOX5 (0.40)
SCHEMBL29187952 0.71 ALOX5 (0.31)
SCHEMBL11812961 0.70 EPHX1 (0.42)
Hydrochloric Acid SCHEMBL29172438 0.70 ALOX5 (0.39)
SCHEMBL6098104 0.69 EPHX1 (0.46)
SCHEMBL16161331 0.68 THRB (0.46)
SCHEMBL28749516 0.67 CA2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348616-B1 CHEMICAL INTERMEDIATES FOR SYNTHESIS OF DESIRED BENZOXAZINONES PIERCE MICHAEL ERNEST (US) 2002-02-19 US disclosed
US-6147210-A Practical synthesis of benzoxazinones useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-14 US disclosed
WO-1998004535-A1 A PRACTICAL SYNTHESIS OF BENZOXAZINONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-05 WO disclosed