⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5642140 | 1.00 | — | — | |
| SCHEMBL5642135 | 1.00 | — | — | |
| SCHEMBL5201103 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL5201110 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL5201113 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL24799640 | 0.74 | — | — | |
| SCHEMBL16582636 | 0.72 | — | — | |
| SCHEMBL5078045 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL429299 | 0.71 | — | — | |
| SCHEMBL2076983 | 0.70 | — | — |
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-7189851-B2 | Condensed heterocyclic compounds as calcitonin agonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-13 | — | — | US | disclosed |
| US-20050107419-A1 | Condensed heterocyclic compounds as calcitonin agonists | SMITHKLINE BEECHAM CORPORATION | 2005-05-19 | — | — | US | disclosed |
| WO-2003076440-A1 | CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-09-18 | — | — | WO | disclosed |