⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9334241 | 0.84 | — | — | |
| SCHEMBL7146327 | 0.82 | — | — | |
| SCHEMBL1716732 | 0.77 | — | — | |
| SCHEMBL3728243 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL3509200 | 0.71 | — | — | |
| SCHEMBL9833973 | 0.67 | SLC6A2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL8206593 | 0.66 | SLC6A2 (0.41) | — | |
| SCHEMBL19814980 | 0.61 | PARP1 (0.39) | — | |
| SCHEMBL1118054 | 0.59 | — | — | |
| SCHEMBL16609986 | 0.55 | — | — |
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-4804665-A | NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-02-14 | — | — | US | disclosed |
| EP-0273659-A1 | Azaspiro compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-07-06 | — | — | EP | disclosed |