⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3102371 | 0.90 | — | — | |
| SCHEMBL28003865 | 0.66 | — | — | |
| SCHEMBL28958819 | 0.65 | — | — | |
| SCHEMBL367025 | 0.64 | — | — | |
| SCHEMBL29104182 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL27431906 | 0.63 | IMPDH2 (0.31) | — | |
| SCHEMBL31167981 | 0.62 | — | — | |
| SCHEMBL7996258 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL17961910 | 0.60 | — | — | |
| SCHEMBL28989950 | 0.59 | AKT1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995000114-A1 | TETRALINE® FORMATE ESTER AROMA CHEMICALS | UNION CAMP CORPORATION (US) | 1995-01-05 | — | — | WO | disclosed |
| US-5292719-A | Perfumes, colognes, soaps and cosmetics; musk aroma | UNION CAMP CORPORATION (US) | 1994-03-08 | — | — | US | disclosed |