⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12546248 | 0.95 | — | — | |
| SCHEMBL1611118 | 0.94 | — | — | |
| SCHEMBL10028803 | 0.80 | — | — | |
| SCHEMBL20306486 | 0.79 | — | — | |
| SCHEMBL11891079 | 0.77 | MEN1 (0.36) | — | |
| SCHEMBL1620150 | 0.76 | — | — | |
| SCHEMBL10028804 | 0.75 | — | — | |
| SCHEMBL11891072 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL18725315 | 0.73 | — | — | |
| SCHEMBL12546350 | 0.73 | — | — |
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-20110136973-A1 | POLYBENZOTHIOPHENE POLYMERS AND PROCESS FOR THEIR PREPARATION | BASF SE (DE) | 2011-06-09 | — | — | US | disclosed |