⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25315527 | 0.79 | — | — | |
| SCHEMBL3833869 | 0.79 | — | — | |
| SCHEMBL15387026 | 0.69 | — | — | |
| SCHEMBL15932463 | 0.69 | — | — | |
| SCHEMBL12361216 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL4189503 | 0.65 | — | — | |
| SCHEMBL31404663 | 0.65 | — | — | |
| SCHEMBL788663 | 0.64 | — | — | |
| SCHEMBL23578789 | 0.61 | — | — | |
| SCHEMBL23578791 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3947394-A1 | IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS | Université de Paris (FR) | 2022-02-09 | — | — | EP | claimed |
| WO-2020201096-A1 | IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS | Université de Paris (FR) | 2020-10-08 | — | — | WO | claimed |