⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14495794 | 0.75 | — | — | |
| SCHEMBL4197779 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL7648197 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL13049890 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL8419246 | 0.59 | — | — | |
| SCHEMBL22783953 | 0.59 | — | — | |
| SCHEMBL22411237 | 0.58 | — | — | |
| SCHEMBL21356007 | 0.57 | — | — | |
| SCHEMBL22411236 | 0.53 | — | — | |
| SCHEMBL31519027 | 0.51 | PARP1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6072067-A | Cyclopentadiene compound substituted with a hetero atom-containing group | DSM N.V. (NL) | 2000-06-06 | — | — | US | disclosed |
| EP-0805142-B1 | Cyclopentadiene compound substituted with a hetero atom-containing group | DSM NV (NL) | 1999-03-24 | — | — | EP | disclosed |
| EP-0900226-A1 | P OR AS DERIVATIVE OF A CYCLOPENTADIENE | DSM N.V. (NL) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997042144-A1 | PROCESS FOR THE ALKYLATION OF A CYCLOPENTADIENE | DSM N.V. (NL) | 1997-11-13 | — | — | WO | disclosed |
| WO-1997042143-A1 | PROCESS FOR THE PREPARATION OF A SPIRO[2.4]-HEPTA-4,6-DIENE | DSM N.V. (NL) | 1997-11-13 | — | — | WO | disclosed |
| WO-1997042201-A1 | P OR AS DERIVATIVE OF A CYCLOPENTADIENE | DSM N.V. (NL) | 1997-11-13 | — | — | WO | disclosed |
| EP-0805142-A1 | Cyclopentadiene compound substituted with a hetero atom-containing group | DSM N.V. (NL) | 1997-11-05 | — | — | EP | disclosed |