⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16556431 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL15242612 | 0.82 | IRAK4 (0.33) | — | |
| SCHEMBL19104244 | 0.79 | — | — | |
| SCHEMBL18136207 | 0.77 | HRH3 (0.33) | — | |
| SCHEMBL24697452 | 0.74 | HRH3 (0.32) | — | |
| SCHEMBL22565987 | 0.72 | CYP3A4 (0.36) | — | |
| SCHEMBL18136221 | 0.72 | — | — | |
| SCHEMBL22565052 | 0.71 | HRH3 (0.34) | — | |
| SCHEMBL24185424 | 0.71 | HRH3 (0.34) | — | |
| SCHEMBL90802 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9567345-B2 | Pharmaceutically active pyrazolo-triazine derivatives | LEAD DISCOVERY CENTER GMBH (DE) | 2017-02-14 | — | — | US | disclosed |