⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11593262 | 0.51 | BCHE (0.33) | — | |
| SCHEMBL16500479 | 0.51 | — | — | |
| SCHEMBL3422095 | 0.51 | MAOA (0.42) | — | |
| SCHEMBL9507665 | 0.51 | CD44 (0.46) | — | |
| SCHEMBL12703772 | 0.51 | — | — | |
| SCHEMBL38386558 | 0.50 | — | — | |
| SCHEMBL11411191 | 0.49 | CYP3A4 (0.30) | — | |
| SCHEMBL19754401 | 0.49 | CYP3A4 (0.30) | — | |
| SCHEMBL9874374 | 0.47 | — | — | |
| SCHEMBL18461408 | 0.47 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2160775-B1 | HETEROPYRENE-BASED SEMICONDUCTOR MATERIALS FOR ELECTRONIC DEVICES | EASTMAN KODAK CO (US) | 2012-10-31 | — | — | EP | disclosed |