⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19143603 | 0.78 | — | — | |
| Formaldehyde SCHEMBL15128928 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL930016 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL29864 | 0.75 | — | — | |
| SCHEMBL10119683 | 0.75 | — | — | |
| Fluoride SCHEMBL14830353 | 0.73 | — | — | |
| SCHEMBL28043440 | 0.73 | — | — | |
| SCHEMBL19905018 | 0.73 | — | — | |
| SCHEMBL22502065 | 0.72 | KCNH2 (0.40) | — | |
| SCHEMBL27535758 | 0.72 | ALDH1A1 (0.53) | — |
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-3305900-B1 | ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES | NUEVOLUTION AS (DK) | 2021-07-21 | — | — | EP | disclosed |