⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5350956 | 0.78 | HSPA5 (0.38) | — | |
| SCHEMBL31294224 | 0.78 | — | — | |
| SCHEMBL7908778 | 0.78 | — | — | |
| SCHEMBL427621 | 0.78 | — | — | |
| SCHEMBL21380597 | 0.77 | HSPA5 (0.46) | — | |
| SCHEMBL5174795 | 0.77 | IDO1 (0.36) | — | |
| SCHEMBL7740624 | 0.76 | GABRA1 (0.44) | — | |
| SCHEMBL28747958 | 0.76 | GABRA1 (0.44) | — | |
| SCHEMBL4005028 | 0.74 | — | — | |
| SCHEMBL5422512 | 0.74 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |
| US-6476021-B1 | Compounds having cGMP-PDE inhibitory effect | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-05 | — | — | US | disclosed |
| EP-1048666-A1 | NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | EP | disclosed |