⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4961211 | 0.67 | — | — | |
| SCHEMBL20673468 | 0.59 | — | — | |
| SCHEMBL1324309 | 0.58 | — | — | |
| SCHEMBL8432306 | 0.56 | — | — | |
| SCHEMBL16684912 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL3407512 | 0.52 | — | — | |
| SCHEMBL31272248 | 0.49 | — | — | |
| SCHEMBL16029825 | 0.49 | — | — | |
| SCHEMBL23966241 | 0.46 | — | — | |
| SCHEMBL27455162 | 0.45 | — | — |
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-5929298-A | Process for preparing conjugated dienes using substituted rhenium trioxide | EASTMAN CHEMICAL COMPANY (US) | 1999-07-27 | — | — | US | disclosed |