⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15647982 | 0.74 | — | — | |
| SCHEMBL4655221 | 0.57 | — | — | |
| SCHEMBL9005021 | 0.52 | HTR2C (0.37) | — | |
| SCHEMBL9005014 | 0.52 | HTR2C (0.37) | — | |
| SCHEMBL4039905 | 0.52 | — | — | |
| SCHEMBL9004801 | 0.52 | HTR2C (0.37) | — | |
| Hydrochloric Acid SCHEMBL9004763 | 0.50 | HTR2C (0.40) | — | |
| Hydrochloric Acid SCHEMBL9004767 | 0.50 | HTR2C (0.40) | — | |
| SCHEMBL7290 | 0.46 | — | — | |
| SCHEMBL12994001 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107920-A1 | 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES | Bayer Pharma Aktiengesellschaft (DE) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015124544-A1 | 3-(PYRIMIDINE-2-YL)IMIDAZO[1,2-A]PYRIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-08-27 | — | — | WO | disclosed |