⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2168598 | 0.76 | — | — | |
| SCHEMBL29445955 | 0.76 | — | — | |
| SCHEMBL28201462 | 0.74 | — | — | |
| SCHEMBL30009001 | 0.74 | — | — | |
| Iodide SCHEMBL23149746 | 0.74 | — | — | |
| Ethyne SCHEMBL27893991 | 0.73 | HSP90AA1 (0.39) | — | |
| SCHEMBL13305116 | 0.69 | — | — | |
| SCHEMBL30481665 | 0.68 | — | — | |
| SCHEMBL31213580 | 0.68 | — | — | |
| SCHEMBL29504670 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025096489-A1 | UBIQUITIN SPECIFIC PROCESSING PROTEASE 1 (USP1) COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-05-08 | — | — | WO | disclosed |
| CN-115611867-B | (1, 1-Trichloro-2) carbamate derivative and preparation method and application thereof | 中南大学 | 2024-04-30 | — | — | CN | disclosed |