⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30889136 | 0.86 | BLM (0.38) | — | |
| SCHEMBL26670059 | 0.81 | CA1 (0.43) | — | |
| SCHEMBL224100 | 0.80 | — | — | |
| SCHEMBL4672496 | 0.80 | CA1 (0.46) | — | |
| SCHEMBL30889172 | 0.79 | ALOX15 (0.39) | — | |
| SCHEMBL17075163 | 0.79 | CA1 (0.50) | — | |
| SCHEMBL610682 | 0.79 | CA1 (0.50) | — | |
| SCHEMBL4406722 | 0.79 | CA1 (0.50) | — | |
| SCHEMBL8113920 | 0.78 | CA1 (0.45) | — | |
| SCHEMBL610683 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024094637-A1 | PROCESS FOR THE PREPARATION OF CYCLIC KETONES | ARXADA AG (CH) | 2024-05-10 | — | — | WO | disclosed |
| CN-1193020-C | Process for preparing amic acid esters | IHARA CHEMICAL IND CO (JP) | 2005-03-16 | — | — | CN | disclosed |
| CN-1366523-A | Process for preparing amic acid esters | IHARA CHEMICAL IND CO (JP) | 2002-08-28 | — | — | CN | disclosed |