⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL152753 | 0.67 | — | — | |
| SCHEMBL901436 | 0.66 | — | — | |
| SCHEMBL3854945 | 0.66 | — | — | |
| SCHEMBL343507 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL30122853 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL29712046 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL333211 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL333212 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL11714549 | 0.62 | — | — | |
| SCHEMBL20699278 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0244822-B1 | BALSAMIC FRAGRANCE COMPOSITION AND PROCESS FOR PREPARATION | HENKEL CORPORATION (US) | 1991-03-06 | — | — | EP | disclosed |
| EP-0244822-A2 | Balsamic fragrance composition and process for preparation | HENKEL CORPORATION (US) | 1987-11-11 | — | — | EP | disclosed |
| US-4661285-A | FROM CAMPHENE, ETHYLHALOACETATE, AND DI-TERT-BUTYL PEROXIDE | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1987-04-28 | — | — | US | disclosed |