⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1501582 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29950924 | 0.98 | AOC1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL29954764 | 0.98 | AOC1 (0.45) | — | |
| Formic Acid Methyl Ester SCHEMBL31017184 | 0.89 | KDM4E (0.45) | — | |
| SCHEMBL29954962 | 0.82 | — | — | |
| SCHEMBL142888 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29950750 | 0.80 | GAA (0.45) | — | |
| Hydrochloric Acid SCHEMBL3208467 | 0.80 | GAA (0.45) | — | |
| SCHEMBL29955436 | 0.78 | KMT2A (0.46) | — | |
| SCHEMBL2600757 | 0.78 | KMT2A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |