⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL962233 | 0.85 | — | — | |
| SCHEMBL962329 | 0.83 | HTR2C (0.33) | — | |
| SCHEMBL963593 | 0.83 | NPY1R (0.33) | — | |
| SCHEMBL962550 | 0.82 | NPY1R (0.31) | — | |
| SCHEMBL962767 | 0.76 | — | — | |
| SCHEMBL959862 | 0.74 | HTR2C (0.34) | — | |
| SCHEMBL961247 | 0.74 | P2RX3 (0.33) | — | |
| SCHEMBL960988 | 0.73 | HTR2C (0.34) | — | |
| SCHEMBL503981 | 0.73 | KCNQ3 (0.36) | — | |
| SCHEMBL961735 | 0.73 | — | — |
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 |