⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21788124 | 0.96 | — | — | |
| SCHEMBL21787865 | 0.94 | — | — | |
| SCHEMBL21788123 | 0.93 | — | — | |
| SCHEMBL21788028 | 0.89 | — | — | |
| SCHEMBL21787773 | 0.89 | PDK2 (0.34) | — | |
| SCHEMBL21787864 | 0.86 | — | — | |
| SCHEMBL21787861 | 0.85 | RARB (0.30) | — | |
| SCHEMBL21787851 | 0.83 | PLIN1 (0.31) | — | |
| SCHEMBL21392507 | 0.82 | PDK2 (0.34) | — | |
| SCHEMBL26999818 | 0.82 | PDK2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3621946-B1 | INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS | DOTTIKON ES HOLDING AG (CH) | 2023-09-06 | — | — | EP | disclosed |
| US-20200075862-A1 | INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS | DOTTIKON ES HOLDING AG (CH) | 2020-03-05 | — | — | US | disclosed |