⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14219835 | 0.98 | — | — | |
| SCHEMBL680160 | 0.91 | TLR8 (0.32) | — | |
| SCHEMBL13708336 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL12337056 | 0.86 | POLB (0.31) | — | |
| SCHEMBL20198336 | 0.79 | — | — | |
| SCHEMBL17928393 | 0.75 | — | — | |
| SCHEMBL14153102 | 0.75 | — | — | |
| SCHEMBL18570629 | 0.74 | — | — | |
| SCHEMBL13956686 | 0.73 | — | — | |
| SCHEMBL12433846 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1427768-B1 | CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2007-01-24 | — | — | EP | disclosed |