⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3671175 | 0.84 | — | — | |
| SCHEMBL412042 | 0.81 | — | — | |
| SCHEMBL15533526 | 0.81 | — | — | |
| SCHEMBL30823597 | 0.81 | TAAR1 (0.33) | — | |
| SCHEMBL9134075 | 0.79 | — | — | |
| SCHEMBL27414895 | 0.79 | — | — | |
| SCHEMBL27656765 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29171487 | 0.77 | — | — | |
| SCHEMBL9299372 | 0.75 | TRPA1 (0.34) | — | |
| SCHEMBL773279 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004067586-A2 | MIXED BIMETALLIC OLEFIN POLYMERISATION CATALYST | SAFETEC GMBH (DE) | 2004-08-12 | — | — | WO | disclosed |