⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16976716 | 1.00 | — | — | |
| SCHEMBL19876052 | 0.97 | — | — | |
| SCHEMBL13618927 | 0.97 | — | — | |
| SCHEMBL13696003 | 0.97 | — | — | |
| SCHEMBL29889012 | 0.97 | — | — | |
| SCHEMBL16095653 | 0.94 | — | — | |
| SCHEMBL14671356 | 0.94 | — | — | |
| SCHEMBL14504614 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL13696603 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL14075143 | 0.82 | CA1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114105807-B | Hydroxycyclohexanamide compound and preparation method and application thereof | 暨南大学 | 2023-08-18 | — | — | CN | claimed |
| CN-114105807-A | Hydroxycyclohexane diamide compound and preparation method and application thereof | 暨南大学 | 2022-03-01 | — | — | CN | claimed |
| CN-114105807-B | Hydroxycyclohexanamide compound and preparation method and application thereof | 暨南大学 | 2023-08-18 | — | — | CN | disclosed |
| CN-114105807-A | Hydroxycyclohexane diamide compound and preparation method and application thereof | 暨南大学 | 2022-03-01 | — | — | CN | disclosed |
| EP-3267996-A1 | PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2018-01-17 | — | — | EP | disclosed |
| WO-2016144846-A1 | PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2016-09-15 | — | — | WO | disclosed |