⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5604498 | 0.83 | — | — | |
| SCHEMBL1417167 | 0.71 | — | — | |
| SCHEMBL1134491 | 0.71 | — | — | |
| SCHEMBL16240021 | 0.71 | — | — | |
| SCHEMBL12490120 | 0.69 | — | — | |
| SCHEMBL16240027 | 0.69 | — | — | |
| SCHEMBL1561926 | 0.69 | — | — | |
| SCHEMBL18422837 | 0.68 | — | — | |
| SCHEMBL13700607 | 0.68 | — | — | |
| SCHEMBL188350 | 0.67 | HTR2A (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121609-A1 | SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS | Allergan, Inc. (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2008091818-A1 | SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS | ALLERGAN, INC. (US) | 2008-07-31 | — | — | WO | claimed |