⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11084627 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL29157709 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL11336116 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL3648692 | 0.87 | — | — | |
| SCHEMBL166257 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL18953199 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL4025141 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL8567000 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL21635430 | 0.87 | — | — | |
| SCHEMBL27679563 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10604513-B2 | Pyridone derivative comprising heteroatomic ring butane substituent, for treating fibrosis and inflammatory diseases | Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) | 2020-03-31 | — | — | US | disclosed |
| EP-2414366-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | Novartis AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112520-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | NOVARTIS AG (CH) | 2010-10-07 | — | — | WO | disclosed |