⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3504867 | 0.87 | — | — | |
| SCHEMBL258950 | 0.87 | — | — | |
| SCHEMBL478147 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27762419 | 0.84 | — | — | |
| SCHEMBL7605578 | 0.79 | — | — | |
| SCHEMBL7605573 | 0.79 | — | — | |
| SCHEMBL27909483 | 0.79 | — | — | |
| SCHEMBL10399898 | 0.73 | — | — | |
| SCHEMBL10399897 | 0.73 | — | — | |
| SCHEMBL1324404 | 0.71 | ALDH1A1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1687068-B1 | SPIROEPOXY-MACROCYCLE AS PERFUMING INGREDIENT | FIRMENICH & CIE (CH) | 2016-03-09 | — | — | EP | disclosed |
| US-7115552-B2 | Spiroepoxy-macrocycle as perfuming ingredient | FIRMENICH SA (CH) | 2006-10-03 | — | — | US | disclosed |
| EP-1687068-A1 | SPIROEPOXY-MACROCYCLE AS PERFUMING INGREDIENT | FIRMENICH SA (CH) | 2006-08-09 | — | — | EP | disclosed |
| US-20060148673-A1 | Spiroepoxy-macrocycle as perfuming ingredient | FIRMENICH SA (CH) | 2006-07-06 | — | — | US | disclosed |
| WO-2005039521-A1 | SPIROEPOXY-MACROCYCLE AS PERFUMING INGREDIENT | FIRMENICH SA (CH) | 2005-05-06 | — | — | WO | disclosed |
| US-3967629-A | Bicyclic fragrance materials and processes therefor | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-07-06 | — | — | US | disclosed |