⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25517226 | 0.83 | CYP2D6 (0.31) | — | |
| SCHEMBL6574303 | 0.81 | — | — | |
| SCHEMBL25958842 | 0.78 | APLNR (0.39) | — | |
| SCHEMBL25958848 | 0.74 | APLNR (0.33) | — | |
| SCHEMBL24104401 | 0.71 | — | — | |
| SCHEMBL8227584 | 0.71 | — | — | |
| SCHEMBL24104270 | 0.71 | — | — | |
| SCHEMBL1783242 | 0.71 | — | — | |
| SCHEMBL11373018 | 0.69 | PPM1B (0.34) | — | |
| SCHEMBL11373020 | 0.69 | PPM1B (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019075574-A1 | CONDURITOL AZIRIDINE DERIVATIVES AND USES THEREOF | UNIVERSITY OF SASKATCHEWAN (CA) | 2019-04-25 | — | — | WO | disclosed |