⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL27847520 | 0.89 | — | — | |
| SCHEMBL28262940 | 0.89 | — | — | |
| Ethylene SCHEMBL28243573 | 0.89 | — | — | |
| Ethylene SCHEMBL250239 | 0.89 | — | — | |
| Ethylene SCHEMBL28590172 | 0.89 | — | — | |
| SCHEMBL35885 | 0.89 | — | — | |
| SCHEMBL28028831 | 0.89 | — | — | |
| Cyanide SCHEMBL27669224 | 0.86 | — | — | |
| SCHEMBL18813462 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL3913344 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6794461-B2 | TRANSITION METAL COMPLEX CATALYST | KANEKA CORPORATION (JP) | 2004-09-21 | — | — | US | disclosed |
| US-20020132930-A1 | Method for purification of vinyl polymers | KANEKA CORPORATION (JP) | 2002-09-19 | — | — | US | disclosed |