⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL243830 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL30525638 | 0.77 | — | — | |
| Iodide SCHEMBL28658456 | 0.77 | — | — | |
| SCHEMBL4563822 | 0.77 | CA1 (0.39) | — | |
| Lithium SCHEMBL30940068 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL6440813 | 0.77 | — | — | |
| Lithium SCHEMBL30283251 | 0.77 | — | — | |
| SCHEMBL8883391 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL34466006 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL5778470 | 0.58 | — | — |
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-6323174-B1 | PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-11-27 | — | — | US | disclosed |
| US-6239324-B1 | REACTING A 1,3-BUTADIENE WITH OLEFIN IN PRESENCE OF HYDROPHILIC SOLVENT AND RUTHENIUM COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-05-29 | — | — | US | disclosed |