⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2852181 | 0.81 | TDP1 (0.36) | — | |
| SCHEMBL2856268 | 0.81 | CHRNB2 (0.30) | — | |
| SCHEMBL9187247 | 0.81 | TDP1 (0.36) | — | |
| SCHEMBL9184208 | 0.81 | TDP1 (0.36) | — | |
| SCHEMBL9495178 | 0.70 | SCN1A (0.38) | — | |
| SCHEMBL19742871 | 0.69 | RET (0.35) | — | |
| SCHEMBL30832584 | 0.69 | RET (0.35) | — | |
| SCHEMBL19742870 | 0.69 | RET (0.35) | — | |
| SCHEMBL15973471 | 0.69 | RET (0.35) | — | |
| SCHEMBL19742869 | 0.69 | RET (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8124578-B2 | Use of dynamic mixtures for a controlled release of fragrances | FIRMENICH SA (CH) | 2012-02-28 | — | — | US | disclosed |
| US-20070141011-A1 | USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES | UNIVERSITE LOUIS PASTEUR (FR) | 2007-06-21 | — | — | US | disclosed |