⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9669591 | 1.00 | — | — | |
| SCHEMBL9669596 | 1.00 | — | — | |
| SCHEMBL9669295 | 0.90 | — | — | |
| SCHEMBL9669304 | 0.90 | — | — | |
| SCHEMBL9669300 | 0.90 | — | — | |
| SCHEMBL9668149 | 0.81 | — | — | |
| SCHEMBL7536290 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL7536282 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL9668471 | 0.72 | — | — | |
| SCHEMBL9667847 | 0.70 | — | — |
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-5084213-A | Mixed halogenation of cyclododecatriene | ETHYL CORPORATION (US) | 1992-01-28 | — | — | US | disclosed |