⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65108 | 0.73 | — | — | |
| Methane SCHEMBL27872321 | 0.71 | — | — | |
| SCHEMBL27150056 | 0.71 | — | — | |
| Iodide SCHEMBL27655122 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.71 | — | — | |
| SCHEMBL3576791 | 0.70 | — | — | |
| SCHEMBL51532 | 0.69 | — | — | |
| Bromide SCHEMBL8068623 | 0.69 | — | — | |
| SCHEMBL11068278 | 0.69 | — | — | |
| SCHEMBL14493094 | 0.69 | — | — |
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-6380378-B1 | BIOSYNTHESIS | TOAGOSEI COMPANY, LTD. (JP) | 2002-04-30 | — | — | US | disclosed |