⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27833066 | 0.93 | — | — | |
| SCHEMBL419346 | 0.93 | — | — | |
| SCHEMBL8044687 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL27661045 | 0.86 | — | — | |
| SCHEMBL27722600 | 0.86 | — | — | |
| SCHEMBL8092434 | 0.86 | — | — | |
| SCHEMBL6336645 | 0.86 | — | — | |
| SCHEMBL27779594 | 0.86 | — | — | |
| SCHEMBL30785805 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27779631 | 0.80 | — | — |
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-4959491-A | PROPYLENE DIMERIZATION CATALYSTS | CHEVRON RESEARCH COMPANY (US) | 1990-09-25 | — | — | US | disclosed |