⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15349787 | 0.84 | GABRA5 (0.41) | — | |
| SCHEMBL29990419 | 0.73 | DGAT1 (0.37) | — | |
| SCHEMBL8211786 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL1427209 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL9827947 | 0.72 | — | — | |
| SCHEMBL18483080 | 0.70 | — | — | |
| SCHEMBL15619605 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL5323379 | 0.68 | — | — | |
| SCHEMBL22341340 | 0.68 | — | — | |
| SCHEMBL2077911 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115160340-B | Small molecular compound with ACK1 inhibition activity and application thereof | 四川大学华西医院 | 2023-07-21 | — | — | CN | disclosed |
| CN-115160340-A | Small molecule compound with ACK1 inhibitory activity and application thereof | 四川大学华西医院 | 2022-10-11 | — | — | CN | disclosed |
| EP-0656348-B1 | Aceric acid derivatives as medicaments | HOFFMANN LA ROCHE (CH) | 2000-05-03 | — | — | EP | disclosed |
| EP-0656348-A2 | Aceric acid derivatives as medicaments | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-07 | — | — | EP | disclosed |