⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5553395 | 1.00 | — | — | |
| SCHEMBL9246448 | 1.00 | — | — | |
| SCHEMBL96725 | 1.00 | — | — | |
| SCHEMBL6473918 | 0.82 | — | — | |
| SCHEMBL28801785 | 0.82 | — | — | |
| SCHEMBL6479837 | 0.82 | — | — | |
| SCHEMBL1325417 | 0.82 | — | — | |
| SCHEMBL23083 | 0.82 | — | — | |
| SCHEMBL23084 | 0.82 | — | — | |
| SCHEMBL1325430 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014174435-A2 | PREPARATION OF PI-EXTENDED NAPHTHALENE DIIMIDES AND THEIR USE AS SEMICONDUCTOR | BASF SE (DE) | 2014-10-30 | — | — | WO | disclosed |