⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL961735 | 0.91 | — | — | |
| SCHEMBL964477 | 0.89 | — | — | |
| SCHEMBL964666 | 0.88 | HTR2C (0.30) | — | |
| SCHEMBL962184 | 0.87 | HTR2C (0.30) | — | |
| SCHEMBL12914810 | 0.83 | HTR2C (0.31) | — | |
| SCHEMBL964163 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL960539 | 0.83 | — | — | |
| SCHEMBL3435954 | 0.79 | — | — | |
| SCHEMBL963593 | 0.77 | NPY1R (0.33) | — | |
| SCHEMBL504531 | 0.75 | HTR2C (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110015181-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2264026-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | Banyu Pharmaceutical Co., Ltd. (JP) | 2010-12-22 | — | — | EP | disclosed |