⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11892769 | 0.77 | — | — | |
| SCHEMBL13830911 | 0.71 | — | — | |
| SCHEMBL19129203 | 0.71 | HTR1A (0.39) | — | |
| SCHEMBL11890333 | 0.71 | GABRA1 (0.33) | — | |
| SCHEMBL12722531 | 0.70 | HTR1A (0.38) | — | |
| SCHEMBL15308486 | 0.69 | HTR1A (0.35) | — | |
| SCHEMBL7269638 | 0.66 | TLR7 (0.33) | — | |
| SCHEMBL31282565 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL308793 | 0.65 | — | — | |
| SCHEMBL2041363 | 0.65 | — | — |
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-8501738-B2 | Substituted triazolo-pyridazine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2013-08-06 | — | — | US | disclosed |
| US-20110065711-A1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-03-17 | — | — | US | disclosed |