⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8467409 | 0.78 | TAAR1 (0.31) | — | |
| SCHEMBL30996074 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL18987376 | 0.74 | — | — | |
| SCHEMBL8465155 | 0.70 | — | — | |
| SCHEMBL7010654 | 0.67 | — | — | |
| SCHEMBL3688407 | 0.67 | — | — | |
| SCHEMBL525718 | 0.63 | — | — | |
| SCHEMBL449043 | 0.63 | — | — | |
| SCHEMBL22462136 | 0.63 | — | — | |
| SCHEMBL8522879 | 0.62 | — | — |
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 3 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-0805142-A1 | Cyclopentadiene compound substituted with a hetero atom-containing group | DSM N.V. (NL) | 1997-11-05 | — | — | EP | disclosed |