⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9860813 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL901648 | 0.73 | — | — | |
| SCHEMBL14655349 | 0.71 | — | — | |
| SCHEMBL538844 | 0.70 | — | — | |
| SCHEMBL7763048 | 0.70 | — | — | |
| SCHEMBL8558705 | 0.70 | — | — | |
| SCHEMBL11801030 | 0.70 | — | — | |
| SCHEMBL9518548 | 0.69 | — | — | |
| SCHEMBL15281501 | 0.69 | — | — | |
| SCHEMBL9648562 | 0.67 | — | — |
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-5026918-A | Synthesis of 2,3,5-trisubstituted-2-cyclopentenones via base induced cyclization of alpha-chloro unsaturated ketones | PETROLITE CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |