⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13991691 | 0.85 | LCK (0.37) | — | |
| SCHEMBL31355064 | 0.78 | — | — | |
| SCHEMBL2944928 | 0.78 | — | — | |
| SCHEMBL988807 | 0.77 | — | — | |
| SCHEMBL9321610 | 0.76 | — | — | |
| SCHEMBL2082092 | 0.74 | — | — | |
| SCHEMBL197999 | 0.74 | — | — | |
| SCHEMBL7068407 | 0.74 | — | — | |
| SCHEMBL5615305 | 0.74 | — | — | |
| SCHEMBL18256044 | 0.74 | GABRP (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111205176-B | Synthetic method of 3, 5-dihalogen-2-pentanone | 大连九信精细化工有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-111205176-A | Synthetic method of 3, 5-dihalogen-2-pentanone | 大连九信精细化工有限公司 | 2020-05-29 | — | — | CN | disclosed |