⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9850032 | 1.00 | — | — | |
| SCHEMBL7286550 | 1.00 | — | — | |
| SCHEMBL30298025 | 0.84 | ALDH1A1 (0.52) | — | |
| SCHEMBL7756518 | 0.80 | — | — | |
| SCHEMBL3300260 | 0.78 | — | — | |
| SCHEMBL11539104 | 0.78 | — | — | |
| SCHEMBL172611 | 0.78 | — | — | |
| SCHEMBL14416288 | 0.78 | — | — | |
| SCHEMBL19147767 | 0.78 | — | — | |
| SCHEMBL5725283 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5639748-A | HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-06-17 | — | — | US | disclosed |
| WO-1993003015-A1 | HETEROALKOXY BENZAZEPINES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-18 | — | — | WO | disclosed |