⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127444 | 0.74 | — | — | |
| SCHEMBL3857042 | 0.64 | — | — | |
| Benzene SCHEMBL28180746 | 0.64 | CA1 (0.35) | — | |
| Bicarbonate SCHEMBL27719972 | 0.61 | — | — | |
| Allylamine SCHEMBL625981 | 0.57 | — | — | |
| SCHEMBL27509635 | 0.56 | — | — | |
| SCHEMBL5574382 | 0.53 | — | — | |
| SCHEMBL13492116 | 0.50 | — | — | |
| Boric Acid SCHEMBL2851717 | 0.50 | — | — | |
| Boric Acid SCHEMBL21951420 | 0.50 | LMNA (0.80) | — |
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-1928456-A2 | SUBSTITUTED PYRAZOLE COMPOUNDS | Miikana Therapeutics, Inc. (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007041358-A2 | SUBSTITUTED PYRAZOLE COMPOUNDS | MIIKANA THERAPEUTICS, INC. (US) | 2007-04-12 | — | — | WO | disclosed |