⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28386146 | 0.92 | SLC6A3 (0.45) | — | |
| SCHEMBL28387169 | 0.92 | — | — | |
| SCHEMBL28383332 | 0.91 | — | — | |
| SCHEMBL28385547 | 0.91 | — | — | |
| SCHEMBL28387956 | 0.89 | EGFR (0.45) | — | |
| SCHEMBL28386199 | 0.88 | EGFR (0.38) | — | |
| SCHEMBL28382400 | 0.87 | EGFR (0.46) | — | |
| SCHEMBL28385472 | 0.87 | BTK (0.42) | — | |
| SCHEMBL28412163 | 0.85 | EGFR (0.42) | — | |
| SCHEMBL28388785 | 0.85 | EGFR (0.43) | — |
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-105682661-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2020-03-27 | — | — | CN | claimed |
| CN-109851617-B | Chemical entities, compositions, and methods | 润新生物公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-111285813-A | Chemical entities, compositions, and methods | 润新生物公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-105682661-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2020-03-27 | — | — | CN | disclosed |