⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL5240181 | 0.81 | — | — | |
| Propene SCHEMBL7938268 | 0.81 | — | — | |
| SCHEMBL23045191 | 0.76 | — | — | |
| Ethylene SCHEMBL249833 | 0.76 | — | — | |
| SCHEMBL9788071 | 0.76 | — | — | |
| Ethylene SCHEMBL438201 | 0.72 | — | — | |
| Ethane SCHEMBL5566430 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3442942 | 0.71 | — | — | |
| Water SCHEMBL639453 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL10633588 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0291928-A2 | Hologram member | CANON KABUSHIKI KAISHA (JP) | 1988-11-23 | — | — | EP | disclosed |