⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8901709 | 0.83 | CES2 (0.54) | — | |
| SCHEMBL27795537 | 0.81 | CES2 (0.57) | — | |
| SCHEMBL27708030 | 0.81 | CES2 (0.57) | — | |
| SCHEMBL27420660 | 0.81 | CES2 (0.57) | — | |
| SCHEMBL27616264 | 0.81 | CES2 (0.57) | — | |
| SCHEMBL16611117 | 0.81 | CES2 (0.57) | — | |
| SCHEMBL109238 | 0.81 | — | — | |
| SCHEMBL30525713 | 0.80 | CES2 (0.55) | — | |
| SCHEMBL638042 | 0.79 | CES2 (0.41) | — | |
| SCHEMBL26945 | 0.79 | CES2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113912524-B | Polypeptide compound containing sulfur amide and synthesis method thereof | 华东师范大学 | 2023-12-01 | — | — | CN | claimed |
| CN-105693287-B | A method of preparing pocket porous ceramic matrix titanium Electric radiant Heating Film | 湘潭大学 | 2019-02-01 | — | — | CN | disclosed |