SCHEMBL28047429

SCHEMBL28047429

F[P-](F)(F)(F)(F)F.NCc1ccc(I)cc1.[H+]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.48
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 2/20 0.43
IDO1 P14902 2/20 0.43
ABAT P80404 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
F10 P00742 1/20 0.37
F11 P03951 1/20 0.37
APP P05067 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL458481 0.87
Phosphine SCHEMBL28192270 0.85 HRH3 (0.55) LOXL2HRH3CYP3A4IDO1ABAT
Hydrochloric Acid SCHEMBL855336 0.85 HRH3 (0.55) LOXL2HRH3CYP3A4IDO1ABAT
SCHEMBL28085749 0.83 LOXL2 (0.50) LOXL2HRH3CYP3A4IDO1ABAT
SCHEMBL27597189 0.83 LOXL2 (0.50) LOXL2HRH3CYP3A4IDO1ABAT
SCHEMBL19636314 0.80 HRH3 (0.74) LOXL2HRH3CYP3A4IDO1ABAT
Trifluoroacetic Acid SCHEMBL18587850 0.73 ITGB3 (0.44) LOXL2ABAT
SCHEMBL27238704 0.72 HRH3 (0.79) LOXL2HRH3ABATTAAR1F10
SCHEMBL15828 0.72 HRH3 (0.79) LOXL2HRH3ABATTAAR1F10
SCHEMBL28137155 0.71 CYP1A2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105247663-B Etching composition 日立化成株式会社 2018-03-23 CN disclosed
CN-105247663-A Etching composition HITACHI CHEMICAL CO LTD 2016-01-13 CN disclosed