⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17110456 | 0.80 | — | — | |
| SCHEMBL640225 | 0.79 | — | — | |
| SCHEMBL7645265 | 0.75 | ADRB2 (0.32) | — | |
| SCHEMBL4881159 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL510037 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL509694 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL20607569 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL29082891 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL135552 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL28438742 | 0.69 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6403578-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |
| EP-0674623-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014776-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |