⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5677646 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL6386792 | 0.79 | — | — | |
| SCHEMBL1934610 | 0.78 | — | — | |
| SCHEMBL23612789 | 0.77 | POLB (0.36) | — | |
| SCHEMBL27915791 | 0.76 | — | — | |
| SCHEMBL5273019 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11159957 | 0.76 | CYP2D6 (0.40) | — | |
| SCHEMBL4346271 | 0.75 | CYP2C19 (0.36) | — | |
| SCHEMBL4028377 | 0.75 | PHF8 (0.43) | — | |
| SCHEMBL2040611 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020107078-A1 | DENDRIMER FOR THERAPY AND IMAGING | STARPHARMA PTY LTD (AU) | 2020-06-04 | — | — | WO | disclosed |
| EP-0416373-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-03-13 | — | — | EP | disclosed |