⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19207089 | 0.70 | HCRTR1 (0.36) | — | |
| SCHEMBL28652797 | 0.70 | HCRTR1 (0.36) | — | |
| SCHEMBL15718350 | 0.65 | — | — | |
| SCHEMBL25334006 | 0.64 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL26906191 | 0.63 | — | — | |
| SCHEMBL27232333 | 0.63 | — | — | |
| SCHEMBL26906115 | 0.63 | — | — | |
| SCHEMBL26907015 | 0.63 | — | — | |
| SCHEMBL15719048 | 0.63 | GAA (0.32) | — | |
| SCHEMBL25332563 | 0.61 | SMN1; SMN2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115043900-A | Peptide-like compound and application thereof in preparation of 2019-nCoV main protease inhibitor | 深圳博瑞医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |