⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2853648 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28966876 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL28320506 | 0.90 | — | — | |
| SCHEMBL5819883 | 0.82 | — | — | |
| SCHEMBL7602540 | 0.80 | — | — | |
| SCHEMBL27925016 | 0.79 | — | — | |
| SCHEMBL9311537 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL29233366 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL839007 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL10946089 | 0.78 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105324416-A | Polysiloxane conjugates as fragrance delivery systems | FIRMENICH & CIE | 2016-02-10 | — | — | CN | disclosed |