⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9944704 | 0.84 | — | — | |
| SCHEMBL6905022 | 0.75 | — | — | |
| SCHEMBL9186324 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL19888178 | 0.71 | — | — | |
| SCHEMBL13325155 | 0.71 | — | — | |
| SCHEMBL24193238 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL12133518 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL21120657 | 0.71 | — | — | |
| SCHEMBL4674350 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL19999658 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105228993-A | Novel cpd and the purposes as spices thereof | SYMRISE AG | 2016-01-06 | — | — | CN | disclosed |
| US-5015464-A | Sugar-free gum base, polyol sugars, oils and antiplaque eucalyptol, menthol, methyl salicylate and thymol | AMWAY CORPORATION (US) | 1991-05-14 | — | — | US | disclosed |