⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9368053 | 0.82 | — | — | |
| SCHEMBL15187605 | 0.79 | — | — | |
| SCHEMBL798091 | 0.71 | — | — | |
| SCHEMBL4706930 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL14019227 | 0.69 | — | — | |
| SCHEMBL8610502 | 0.69 | — | — | |
| SCHEMBL10598577 | 0.67 | — | — | |
| SCHEMBL4764847 | 0.65 | — | — | |
| SCHEMBL5278796 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL6868995 | 0.65 | — | — |
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-0221445-B1 | SUBSTITUTED 5-FORMYL-1,3-DIOXEPANES, THEIR PREPARATION AND USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1988-10-26 | — | — | EP | disclosed |
| US-4761489-A | PERFUMES | BASF AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |
| EP-0221445-A1 | Substituted 5-formyl-1,3-dioxepanes, their preparation and use as perfumes | BASF Aktiengesellschaft (DE) | 1987-05-13 | — | — | EP | disclosed |