⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9519250 | 0.82 | CHRNB2 (0.40) | — | |
| SCHEMBL6032147 | 0.81 | MAPT (0.31) | — | |
| SCHEMBL20898714 | 0.81 | MAPT (0.31) | — | |
| SCHEMBL1922221 | 0.81 | MAPT (0.31) | — | |
| Ethylene SCHEMBL9673657 | 0.80 | CHRNB2 (0.38) | — | |
| SCHEMBL2924030 | 0.74 | — | — | |
| SCHEMBL22576573 | 0.74 | — | — | |
| SCHEMBL18586582 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL2922571 | 0.70 | USP30 (0.30) | — | |
| SCHEMBL16212100 | 0.70 | NOTUM (0.31) | — |
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-RE36374-E | 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists | H. LUNDBECK, A/S (DK) | 1999-11-02 | — | — | US | disclosed |