⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12977685 | 1.00 | — | — | |
| SCHEMBL18691949 | 1.00 | — | — | |
| SCHEMBL9355181 | 1.00 | — | — | |
| SCHEMBL10530193 | 1.00 | — | — | |
| SCHEMBL12977684 | 1.00 | — | — | |
| SCHEMBL14435387 | 1.00 | — | — | |
| SCHEMBL9351253 | 1.00 | — | — | |
| SCHEMBL10530198 | 1.00 | — | — | |
| SCHEMBL20528291 | 1.00 | — | — | |
| SCHEMBL9355177 | 1.00 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007090704-A1 | MIXTURES OF UNSATURATED MACROCYCLIC EPOXIDES AS ODORIFEROUS SUBSTANCES | SYMRISE GMBH & CO. KG (DE) | 2007-08-16 | — | — | WO | disclosed |