⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL1050670 | 0.82 | — | — | |
| Bicarbonate SCHEMBL1323730 | 0.72 | — | — | |
| Oxalic Acid SCHEMBL284268 | 0.68 | — | — | |
| SCHEMBL2729124 | 0.67 | — | — | |
| Oxalic Acid SCHEMBL1991717 | 0.65 | CA4 (0.64) | — | |
| Bicarbonate SCHEMBL19128 | 0.62 | CA4 (0.50) | — | |
| Perchlorate SCHEMBL7180469 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL9067863 | 0.62 | — | — | |
| SCHEMBL7530082 | 0.62 | — | — | |
| Hydrogen Peroxide SCHEMBL3202884 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1320531-B1 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PFIZER ITALIA SRL (IT) | 2010-09-08 | — | — | EP | claimed |