⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5871666 | 0.79 | — | — | |
| SCHEMBL14275891 | 0.77 | CYP3A4 (0.44) | — | |
| SCHEMBL18936266 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL18936265 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL4278928 | 0.75 | — | — | |
| SCHEMBL18916764 | 0.70 | ATM (0.31) | — | |
| SCHEMBL6297464 | 0.69 | MEN1 (0.41) | — | |
| SCHEMBL5209322 | 0.68 | CTSK (0.31) | — | |
| SCHEMBL4218754 | 0.66 | — | — | |
| SCHEMBL9588660 | 0.65 | ENPP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |