⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9766940 | 1.00 | — | — | |
| SCHEMBL2627736 | 0.82 | — | — | |
| SCHEMBL3110758 | 0.80 | — | — | |
| SCHEMBL11804819 | 0.80 | — | — | |
| SCHEMBL20384 | 0.80 | — | — | |
| SCHEMBL10176523 | 0.79 | — | — | |
| SCHEMBL17691256 | 0.78 | — | — | |
| SCHEMBL10385817 | 0.73 | GAA (0.36) | — | |
| SCHEMBL13886351 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL11764576 | 0.71 | ALDH1A1 (0.33) | — |
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-5023382-A | Synthesis of 2,3-disubstituted-2-cyclopentenones via lithiomethylmercapto compounds | PETROLITE CORPORATION (US) | 1991-06-11 | — | — | US | disclosed |