⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11744234 | 0.98 | — | — | |
| SCHEMBL11743131 | 0.93 | — | — | |
| SCHEMBL17258226 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL11747203 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL7213132 | 0.67 | — | — | |
| SCHEMBL17258231 | 0.67 | — | — | |
| SCHEMBL8461939 | 0.66 | TRIM24 (0.38) | — | |
| SCHEMBL19178733 | 0.66 | TRIM24 (0.38) | — | |
| SCHEMBL8461935 | 0.66 | TRIM24 (0.38) | — | |
| SCHEMBL19178734 | 0.66 | TRIM24 (0.38) | — |
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-4005152-A | Cycloalkenynes and a method for the preparation thereof | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | disclosed |