⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL840014 | 0.83 | — | — | |
| SCHEMBL5769850 | 0.81 | — | — | |
| SCHEMBL1891340 | 0.72 | — | — | |
| SCHEMBL840016 | 0.61 | — | — | |
| SCHEMBL2000997 | 0.60 | — | — | |
| SCHEMBL841805 | 0.58 | — | — | |
| SCHEMBL839180 | 0.55 | — | — | |
| SCHEMBL27361226 | 0.53 | TRPA1 (0.39) | — | |
| SCHEMBL26313083 | 0.53 | TRPA1 (0.30) | — | |
| SCHEMBL25484287 | 0.53 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044050-A1 | NEW PYRIDINE ANALOGUES | Astra Zeneca AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008004946-A1 | NEW PYRIDINE ANALOGUES | ASTRAZENECA AB (SE) | 2008-01-10 | — | — | WO | disclosed |
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-0708642-B1 | TAXOL DERIVATIVES | ABBOTT LAB (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |
| EP-0708642-A1 | TAXOL DERIVATIVES | ABBOTT LABORATORIES (US) | 1996-05-01 | — | — | EP | disclosed |
| EP-0708642-A4 | TAXOL DERIVATIVES | ABBOTT LAB (US) | 1996-03-12 | — | — | EP | disclosed |
| WO-1995002400-A1 | TAXOL DERIVATIVES | ABBOTT LABORATORIES (US) | 1995-01-26 | — | — | WO | disclosed |