⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11744121 | 0.86 | — | — | |
| SCHEMBL2828489 | 0.83 | — | — | |
| SCHEMBL2828487 | 0.83 | — | — | |
| SCHEMBL2828485 | 0.83 | — | — | |
| SCHEMBL5071884 | 0.77 | — | — | |
| SCHEMBL11746029 | 0.72 | — | — | |
| SCHEMBL11748738 | 0.72 | — | — | |
| SCHEMBL18822221 | 0.71 | — | — | |
| SCHEMBL16398487 | 0.70 | — | — | |
| SCHEMBL60818 | 0.70 | — | — |
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 |