⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4010930 | 0.78 | CYP2D6 (0.54) | — | |
| SCHEMBL20016954 | 0.76 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL402167 | 0.74 | — | — | |
| SCHEMBL21359205 | 0.74 | CYP2D6 (0.70) | — | |
| SCHEMBL6729103 | 0.72 | — | — | |
| SCHEMBL593908 | 0.72 | — | — | |
| SCHEMBL1982391 | 0.72 | — | — | |
| SCHEMBL3115481 | 0.72 | — | — | |
| SCHEMBL29888813 | 0.71 | CYP2D6 (0.46) | — | |
| SCHEMBL25260677 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1266900-A1 | Carbamates of rapamycin | Wyeth (US) | 2002-12-18 | — | — | EP | disclosed |
| US-5411967-A | Antiinflammatory, immunosuppressant, antitumor | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-02 | — | — | US | disclosed |
| EP-0593227-A1 | Carbamates of rapamycin | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-04-20 | — | — | EP | disclosed |
| US-5302584-A | Immunosuppressants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-04-12 | — | — | US | disclosed |