⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3018154 | 0.83 | — | — | |
| SCHEMBL28626869 | 0.81 | — | — | |
| SCHEMBL5819880 | 0.81 | — | — | |
| SCHEMBL23631876 | 0.79 | — | — | |
| SCHEMBL5346106 | 0.79 | — | — | |
| SCHEMBL28347101 | 0.79 | — | — | |
| SCHEMBL28629199 | 0.79 | — | — | |
| SCHEMBL27515363 | 0.78 | SIRT2 (0.32) | — | |
| SCHEMBL27583667 | 0.78 | SIRT2 (0.32) | — | |
| SCHEMBL27974770 | 0.78 | SIRT2 (0.32) | — |
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-105324416-B | Polysiloxanes conjugate as perfume delivery system | 弗门尼舍有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-105324416-A | Polysiloxane conjugates as fragrance delivery systems | FIRMENICH & CIE | 2016-02-10 | — | — | CN | disclosed |