⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25568360 | 0.66 | — | — | |
| SCHEMBL2176032 | 0.66 | — | — | |
| SCHEMBL25568367 | 0.60 | CYP1A2 (0.34) | — | |
| SCHEMBL10592573 | 0.60 | — | — | |
| SCHEMBL10594188 | 0.60 | — | — | |
| SCHEMBL10594193 | 0.60 | — | — | |
| SCHEMBL19882307 | 0.58 | — | — | |
| SCHEMBL23282941 | 0.58 | — | — | |
| SCHEMBL4091850 | 0.57 | — | — | |
| SCHEMBL23126456 | 0.57 | ALPL (0.34) | — |
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-5471003-A | Catalytic hydrogenation then distillation to remove butyraldehyde | EASTMAN CHEMICAL COMPANY (US) | 1995-11-28 | — | — | US | disclosed |