⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL1330474 | 0.84 | — | — | |
| Isopropylamine SCHEMBL2126457 | 0.80 | — | — | |
| Isopropylamine SCHEMBL31143648 | 0.75 | — | — | |
| Isopropylamine SCHEMBL13415136 | 0.69 | — | — | |
| Isopropylamine SCHEMBL31520291 | 0.61 | — | — | |
| Isopropylamine SCHEMBL22635687 | 0.61 | — | — | |
| Isopropylamine SCHEMBL30685693 | 0.61 | — | — | |
| Isobutane SCHEMBL30203183 | 0.58 | — | — | |
| SCHEMBL31143696 | 0.57 | — | — | |
| Isopropylamine SCHEMBL9393824 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024121779-A1 | PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS | PFIZER INC. (US) | 2024-06-13 | — | — | WO | disclosed |