⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9775287 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL9775354 | 0.83 | — | — | |
| SCHEMBL5136459 | 0.81 | — | — | |
| SCHEMBL9775292 | 0.79 | — | — | |
| SCHEMBL11055691 | 0.77 | — | — | |
| SCHEMBL11626728 | 0.76 | — | — | |
| SCHEMBL9719531 | 0.69 | — | — | |
| SCHEMBL9719473 | 0.69 | — | — | |
| SCHEMBL5953801 | 0.67 | — | — | |
| SCHEMBL5954064 | 0.67 | — | — |
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-4354053-A | Spliced high voltage cable | GOLD MARVIN H | 1982-10-12 | — | — | US | disclosed |