⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1393593 | 0.70 | — | — | |
| SCHEMBL563508 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL28287358 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL27778935 | 0.64 | — | — | |
| Trimethylammonium SCHEMBL27269293 | 0.64 | — | — | |
| Trimethylammonium SCHEMBL27269292 | 0.64 | — | — | |
| SCHEMBL1682929 | 0.61 | — | — | |
| SCHEMBL10054281 | 0.61 | — | — | |
| SCHEMBL28081962 | 0.61 | — | — | |
| SCHEMBL48575 | 0.61 | — | — |
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-0130739-A2 | Reactor system and method for polynucleotide synthesis | CHIRON CORPORATION (US) | 1985-01-09 | — | — | EP | disclosed |