⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14016707 | 0.92 | — | — | |
| SCHEMBL14016706 | 0.89 | — | — | |
| SCHEMBL19154162 | 0.81 | — | — | |
| SCHEMBL14506474 | 0.81 | — | — | |
| SCHEMBL19725756 | 0.79 | — | — | |
| SCHEMBL19154449 | 0.79 | — | — | |
| SCHEMBL3049867 | 0.74 | — | — | |
| SCHEMBL18291130 | 0.72 | — | — | |
| SCHEMBL19154008 | 0.72 | — | — | |
| SCHEMBL19154173 | 0.72 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7439407-B2 | Fluorinated pentacene derivative and method of producing same | KANTO DENTA KOGYO CO., LTD. (JP) | 2008-10-21 | — | — | US | disclosed |
| US-20070083067-A1 | Fluorinated pentacene derivative and method of producing same | KANTO DENKA KOGYO CO. LTD. (JP) | 2007-04-12 | — | — | US | disclosed |