⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10614301 | 0.80 | — | — | |
| SCHEMBL20844190 | 0.76 | — | — | |
| SCHEMBL27838834 | 0.76 | NPC1 (0.39) | — | |
| SCHEMBL9692615 | 0.75 | ACHE (0.33) | — | |
| SCHEMBL9508215 | 0.75 | — | — | |
| SCHEMBL13990270 | 0.71 | — | — | |
| SCHEMBL21737529 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL11910000 | 0.70 | NPC1 (0.36) | — | |
| SCHEMBL22711505 | 0.70 | NPC1 (0.37) | — | |
| SCHEMBL22711524 | 0.70 | PRKDC (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1706841-B | 1-(4,4-diaryl-3-butene)-piperidine formic acid or its medicine salt, preparation process and application | UNIV FUDAN | 2010-09-01 | — | — | CN | disclosed |
| US-20080312435-A1 | Imine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-18 | — | — | US | disclosed |
| US-20080312435-A1 | Imine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-18 | — | — | US | disclosed |
| CN-1706841-A | 1-(4,4-diaryl-3-butene)-piperidine formic acid or its medicine salt, prepn process and application | UNIV FUDAN (CN) | 2005-12-14 | — | — | CN | disclosed |
| WO-2000039088-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2000-07-06 | — | — | WO | disclosed |