⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7958059 | 0.65 | — | — | |
| SCHEMBL11594543 | 0.59 | — | — | |
| SCHEMBL6839636 | 0.58 | — | — | |
| SCHEMBL4931594 | 0.57 | — | — | |
| SCHEMBL11817088 | 0.56 | L3MBTL1 (0.36) | — | |
| SCHEMBL21634569 | 0.55 | GBA1 (0.57) | — | |
| SCHEMBL2450241 | 0.55 | GBA1 (0.32) | — | |
| SCHEMBL24215234 | 0.53 | — | — | |
| SCHEMBL6127494 | 0.53 | — | — | |
| SCHEMBL6127500 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5189166-A | Vapor phase cyclization, dehydrogenation with manganese dioxide | DOWELANCO (US) | 1993-02-23 | — | — | US | disclosed |
| US-5189166-A | Vapor phase cyclization, dehydrogenation with manganese dioxide | DOWELANCO (US) | 1993-02-23 | — | — | US | disclosed |