⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2850639 | 0.58 | — | — | |
| SCHEMBL8088828 | 0.58 | — | — | |
| SCHEMBL3138260 | 0.58 | — | — | |
| SCHEMBL10586720 | 0.58 | — | — | |
| SCHEMBL5572745 | 0.58 | — | — | |
| SCHEMBL44998 | 0.57 | — | — | |
| SCHEMBL3849595 | 0.57 | — | — | |
| SCHEMBL16819739 | 0.55 | — | — | |
| SCHEMBL6268632 | 0.55 | — | — | |
| SCHEMBL218383 | 0.55 | — | — |
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-0971963-A1 | PI-COMPLEX COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998045339-A1 | π-COMPLEX COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-10-15 | — | — | WO | disclosed |