⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8304681 | 1.00 | — | — | |
| SCHEMBL8364924 | 0.76 | — | — | |
| SCHEMBL13350392 | 0.76 | — | — | |
| SCHEMBL19312269 | 0.69 | — | — | |
| SCHEMBL20825124 | 0.67 | ADH1B (0.32) | — | |
| SCHEMBL13941681 | 0.67 | — | — | |
| SCHEMBL14040684 | 0.67 | — | — | |
| SCHEMBL13980826 | 0.67 | — | — | |
| SCHEMBL257276 | 0.67 | — | — | |
| SCHEMBL9926420 | 0.67 | — | — |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |