⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3413093 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL23572529 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL24308962 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL10775989 | 0.70 | GAA (0.30) | — | |
| SCHEMBL3528256 | 0.70 | GAA (0.34) | — | |
| SCHEMBL7171314 | 0.70 | NPC1 (0.32) | — | |
| SCHEMBL1761080 | 0.69 | MGAT2 (0.30) | — | |
| SCHEMBL9436003 | 0.69 | GAA (0.36) | — | |
| SCHEMBL10775981 | 0.69 | — | — | |
| SCHEMBL10589838 | 0.69 | ALDH1A1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090082389-A1 | PESTICIDAL SUBSTITUTED PIPERIDINES | MERIAL LIMITED | 2009-03-26 | — | — | US | disclosed |
| EP-1848274-A1 | PESTICIDAL SUBSTITUTED PIPERIDINES | Merial Ltd. (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006087162-A1 | PESTICIDAL SUBSTITUTED PIPERIDINES | MERIAL LTD. (US) | 2006-08-24 | — | — | WO | disclosed |
| EP-1692939-A1 | Pesticidal substituted piperidines | Bayer CropScience S.A. (FR) | 2006-08-23 | — | — | EP | disclosed |