⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12413023 | 0.89 | — | — | |
| SCHEMBL12413003 | 0.80 | PKM (0.30) | — | |
| SCHEMBL12412988 | 0.80 | — | — | |
| SCHEMBL12412999 | 0.77 | PKM (0.37) | — | |
| SCHEMBL12413020 | 0.75 | — | — | |
| SCHEMBL12413002 | 0.74 | PKM (0.37) | — | |
| SCHEMBL12413000 | 0.71 | MAOB (0.40) | — | |
| SCHEMBL12412996 | 0.69 | ESR2 (0.33) | — | |
| SCHEMBL13671556 | 0.68 | PKM (0.33) | — | |
| SCHEMBL18179566 | 0.67 | ALDH1A2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110166362-A1 | NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-07-07 | — | — | US | disclosed |