⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1801180 | 0.71 | TAS2R14 (0.30) | — | |
| SCHEMBL18527601 | 0.71 | — | — | |
| SCHEMBL1042105 | 0.63 | — | — | |
| SCHEMBL147747 | 0.62 | — | — | |
| SCHEMBL27666552 | 0.59 | — | — | |
| SCHEMBL8881866 | 0.58 | — | — | |
| SCHEMBL6228844 | 0.58 | — | — | |
| SCHEMBL8610652 | 0.58 | — | — | |
| SCHEMBL9732644 | 0.58 | — | — | |
| SCHEMBL9812949 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6165234-A | FOR IMPARTING REVERSIBLE COLOR CHANGES TO WAXES AND CANDLES WHEN HEATED OR WHEN WAX MELTS OR WHEN THE CANDLE BURNS | KANAKKANATT SEBASTIAN V (US) | 2000-12-26 | — | — | US | disclosed |