⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22833798 | 0.98 | KDM5A (0.40) | — | |
| Hydrochloric Acid SCHEMBL28942678 | 0.86 | CPB2 (0.44) | — | |
| SCHEMBL9729220 | 0.84 | TBXAS1 (0.46) | — | |
| SCHEMBL174266 | 0.82 | — | — | |
| SCHEMBL24655835 | 0.80 | — | — | |
| SCHEMBL27772454 | 0.78 | — | — | |
| SCHEMBL24655851 | 0.78 | CPB2 (0.37) | — | |
| SCHEMBL24655834 | 0.78 | KDM5A (0.44) | — | |
| SCHEMBL16964094 | 0.78 | TDP1 (0.37) | — | |
| SCHEMBL7209199 | 0.77 | CPB2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230014226-A1 | NEW COMPOUNDS AND METHODS | BENEVOLENTAI BIO LIMITED (GB) | 2023-01-19 | — | — | US | disclosed |
| CN-108239071-A | Amide and thioamides analog derivative and its preparation method and application | 沈阳药科大学 | 2018-07-03 | — | — | CN | disclosed |