⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41780 | 0.67 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.65 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.65 | — | — | |
| SCHEMBL22719 | 0.65 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.65 | — | — | |
| SCHEMBL9746247 | 0.60 | — | — | |
| Ethane SCHEMBL7149441 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL3382668 | 0.60 | — | — | |
| SCHEMBL1773891 | 0.60 | — | — | |
| Isopropylamine SCHEMBL11167187 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0523212-A1 | RUBBER GLOVES, THEIR MANUFACTURE AND USE | SMITH & NEPHEW INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| WO-1992013497-A1 | RUBBER GLOVES, THEIR MANUFACTURE AND USE | SMITH & NEPHEW PLC (GB) | 1992-08-20 | — | — | WO | disclosed |