⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10855840 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28313889 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27874946 | 0.80 | — | — | |
| SCHEMBL24631363 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL2884124 | 0.74 | — | — | |
| SCHEMBL992144 | 0.74 | — | — | |
| SCHEMBL16121480 | 0.74 | — | — | |
| SCHEMBL18520080 | 0.72 | — | — | |
| SCHEMBL20610877 | 0.72 | ALDH1A1 (0.61) | — | |
| SCHEMBL18774295 | 0.72 | — | — |
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-0015156-A1 | Basically-substituted tricyclic pyrazoles, their preparation and their use as antiinflammatory agents | E.R. Squibb & Sons, Inc. (US) | 1980-09-03 | — | — | EP | disclosed |