⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23805952 | 0.88 | — | — | |
| SCHEMBL18576010 | 0.82 | — | — | |
| SCHEMBL20911571 | 0.74 | — | — | |
| SCHEMBL19662520 | 0.72 | — | — | |
| SCHEMBL23945100 | 0.70 | — | — | |
| SCHEMBL18389130 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL15587752 | 0.69 | — | — | |
| SCHEMBL23806249 | 0.68 | — | — | |
| SCHEMBL20751720 | 0.68 | — | — | |
| SCHEMBL26145430 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4249486-A1 | ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS | Technische Universität Berlin (DE) | 2023-09-27 | — | — | EP | disclosed |