⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31016885 | 1.00 | — | — | |
| SCHEMBL2997828 | 0.72 | — | — | |
| SCHEMBL423090 | 0.72 | — | — | |
| SCHEMBL29479476 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL18227036 | 0.70 | — | — | |
| SCHEMBL26273810 | 0.70 | — | — | |
| SCHEMBL5925941 | 0.68 | — | — | |
| SCHEMBL12777851 | 0.68 | — | — | |
| SCHEMBL5925856 | 0.68 | — | — | |
| SCHEMBL7842355 | 0.68 | — | — |
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-2170337-A1 | NOVEL TRIAZOLOPYRIDAZINES | Abbott Laboratories (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009005675-A1 | NOVEL TRIAZOLOPYRIDAZINES | ABBOTT LABORATORIES (US) | 2009-01-08 | — | — | WO | disclosed |