⚠ 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 SCHEMBL2200864 | 0.98 | — | — | |
| SCHEMBL25349649 | 0.88 | — | — | |
| Tert-Butyl Formate SCHEMBL27810010 | 0.87 | TDP1 (0.33) | — | |
| SCHEMBL25349045 | 0.86 | PARP1 (0.32) | — | |
| SCHEMBL25349050 | 0.86 | PARP1 (0.32) | — | |
| SCHEMBL25349835 | 0.76 | — | — | |
| SCHEMBL25349840 | 0.76 | — | — | |
| SCHEMBL10844305 | 0.75 | — | — | |
| SCHEMBL27810008 | 0.75 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL3648080 | 0.73 | HPGD (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7977358-B2 | Pyrazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |