⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20761563 | 0.74 | SIGMAR1 (0.36) | — | |
| SCHEMBL20761919 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL23097412 | 0.72 | MAPT (0.40) | — | |
| SCHEMBL14534168 | 0.71 | CRBN (0.40) | — | |
| SCHEMBL4066532 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL20762592 | 0.70 | SIGMAR1 (0.31) | — | |
| SCHEMBL27105201 | 0.70 | — | — | |
| SCHEMBL20744263 | 0.70 | NPC1 (0.42) | — | |
| SCHEMBL25159789 | 0.69 | GPR119 (0.37) | — | |
| SCHEMBL14534188 | 0.67 | CHRNB4 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5073560-A | SPIRO-ISOXAZOLIDINE DERIVATIVES AS CHOLINERGIC AGENTS | FISONS CORPORATION (US) | 1991-12-17 | — | — | US | disclosed |