⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4415268 | 0.89 | THRB (0.30) | — | |
| SCHEMBL14621059 | 0.78 | TLR8 (0.33) | — | |
| SCHEMBL13595448 | 0.77 | — | — | |
| SCHEMBL14322047 | 0.73 | TLR8 (0.33) | — | |
| SCHEMBL13376510 | 0.72 | TLR8 (0.32) | — | |
| SCHEMBL14621060 | 0.69 | — | — | |
| SCHEMBL4415267 | 0.68 | EGFR (0.34) | — | |
| SCHEMBL13196434 | 0.66 | TLR8 (0.33) | — | |
| SCHEMBL12595641 | 0.65 | TLR8 (0.36) | — | |
| SCHEMBL4546505 | 0.65 | TLR8 (0.36) | — |
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 |