⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28179502 | 0.83 | OPRM1 (0.32) | — | |
| SCHEMBL9701040 | 0.81 | — | — | |
| SCHEMBL9702476 | 0.79 | — | — | |
| SCHEMBL5429838 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7149105 | 0.70 | — | — | |
| SCHEMBL1525768 | 0.70 | — | — | |
| SCHEMBL212937 | 0.69 | — | — | |
| SCHEMBL9543353 | 0.68 | OPRM1 (0.33) | — | |
| SCHEMBL216632 | 0.67 | FDPS (0.32) | — | |
| SCHEMBL28001875 | 0.67 | OPRM1 (0.37) | — |
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-7592040-B2 | Two-tone color effect coating process | PPG INDUSTRIES OHIO, INC. (US) | 2009-09-22 | — | — | US | disclosed |