⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2479888 | 1.00 | — | — | |
| SCHEMBL2477329 | 0.72 | ALOX15 (0.31) | — | |
| SCHEMBL3678426 | 0.57 | AKR1C4 (0.54) | — | |
| SCHEMBL3676689 | 0.57 | AKR1C4 (0.32) | — | |
| SCHEMBL3676451 | 0.57 | AKR1C4 (0.54) | — | |
| SCHEMBL2478853 | 0.56 | ACE (0.38) | — | |
| SCHEMBL2476814 | 0.56 | ACE (0.38) | — | |
| SCHEMBL25045881 | 0.54 | ACACB (0.36) | — | |
| SCHEMBL5493334 | 0.52 | GAA (0.42) | — | |
| SCHEMBL25335990 | 0.52 | SLC1A3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1948584-B1 | PROCESS FOR THE PREPARATION OF CYCLOPENTANONE DERIVATIVES | FIRMENICH & CIE (CH) | 2011-10-19 | — | — | EP | disclosed |
| US-7649107-B2 | Process for the preparation of cyclopentanone derivatives | FIRMENICH SA (CH) | 2010-01-19 | — | — | US | disclosed |
| US-20080214859-A1 | Process for the Preparation of Cyclopentanone Derivatives | FIRMENICH SA (CH) | 2008-09-04 | — | — | US | disclosed |