⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3034746 | 0.72 | — | — | |
| SCHEMBL14587124 | 0.72 | — | — | |
| SCHEMBL276087 | 0.69 | — | — | |
| SCHEMBL12417959 | 0.69 | — | — | |
| SCHEMBL3109113 | 0.67 | — | — | |
| SCHEMBL114679 | 0.65 | — | — | |
| SCHEMBL1895421 | 0.65 | — | — | |
| SCHEMBL11601251 | 0.65 | — | — | |
| SCHEMBL9968027 | 0.64 | — | — | |
| SCHEMBL3111843 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0827495-A4 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORP (US) | 1998-11-04 | — | — | EP | disclosed |
| EP-0827495-A1 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-11 | — | — | EP | disclosed |
| WO-1997003945-A1 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-06 | — | — | WO | disclosed |