⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164370 | 0.63 | — | — | |
| SCHEMBL14495794 | 0.61 | — | — | |
| SCHEMBL4197779 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL8164102 | 0.57 | — | — | |
| SCHEMBL22783953 | 0.57 | — | — | |
| SCHEMBL8419246 | 0.57 | — | — | |
| SCHEMBL3234354 | 0.57 | — | — | |
| SCHEMBL20008725 | 0.52 | — | — | |
| SCHEMBL372444 | 0.52 | — | — | |
| SCHEMBL22411236 | 0.51 | — | — |
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 1 patent. 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 |