⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466511 | 0.96 | — | — | |
| Ethylenediamine SCHEMBL8121893 | 0.92 | CA12 (0.47) | — | |
| Bromide SCHEMBL31050231 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28094416 | 0.92 | — | — | |
| Water SCHEMBL28108822 | 0.92 | — | — | |
| Ethylenediamine SCHEMBL28594538 | 0.92 | — | — | |
| Ethane SCHEMBL3074989 | 0.88 | — | — | |
| Propane SCHEMBL3075180 | 0.85 | — | — | |
| Butane SCHEMBL3061276 | 0.82 | — | — | |
| Sulfuric Acid SCHEMBL25412843 | 0.77 | LMNA (0.45) | — |
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-4597830-A | FREE OF SODIUM HYDROXIDE AND SULFIDES | THE UNIVERSITY OF ALABAMA (US) | 1986-07-01 | — | — | US | disclosed |