⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057113 | 0.80 | — | — | |
| SCHEMBL16200702 | 0.72 | PLAU (0.48) | — | |
| SCHEMBL3842026 | 0.70 | — | — | |
| SCHEMBL15114814 | 0.68 | — | — | |
| SCHEMBL11200024 | 0.68 | — | — | |
| SCHEMBL3842021 | 0.68 | — | — | |
| SCHEMBL1164056 | 0.68 | — | — | |
| SCHEMBL9539703 | 0.64 | — | — | |
| SCHEMBL6926372 | 0.64 | — | — | |
| SCHEMBL9845751 | 0.62 | PLAU (0.35) | — |
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-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 |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |