⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2625118 | 0.95 | — | — | |
| SCHEMBL1253311 | 0.84 | — | — | |
| SCHEMBL5539788 | 0.84 | — | — | |
| SCHEMBL11216162 | 0.84 | — | — | |
| SCHEMBL5538223 | 0.81 | — | — | |
| SCHEMBL18594829 | 0.73 | — | — | |
| SCHEMBL14571054 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL10129340 | 0.73 | — | — | |
| SCHEMBL19573934 | 0.71 | — | — | |
| SCHEMBL239695 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173802-B2 | Method for producing piperidin-4-one derivative | NIPPON SODA CO., LTD. (JP) | 2012-05-08 | — | — | US | disclosed |
| US-20100004455-A1 | Method for producing piperidin-4-one derivative | NIPPON SODA CO., LTD. (JP) | 2010-01-07 | — | — | US | disclosed |
| EP-2058303-A1 | METHOD FOR PRODUCING PIPERIDIN-4-ONE-DERIVATIVE | Nippon Soda Co., Ltd. (JP) | 2009-05-13 | — | — | EP | disclosed |