⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7710866 | 0.87 | KDM4E (0.31) | — | |
| SCHEMBL7704984 | 0.87 | TP53 (0.30) | — | |
| SCHEMBL7704909 | 0.85 | MMP8 (0.31) | — | |
| SCHEMBL7711363 | 0.84 | EPHX2 (0.30) | — | |
| SCHEMBL7708186 | 0.83 | — | — | |
| SCHEMBL7711245 | 0.83 | LTB4R (0.33) | — | |
| SCHEMBL7704899 | 0.83 | PKM (0.35) | — | |
| SCHEMBL7704869 | 0.82 | GRM2 (0.33) | — | |
| SCHEMBL7711358 | 0.82 | ACE2 (0.34) | — | |
| SCHEMBL7704963 | 0.81 | CYP3A4 (0.34) | — |
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-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |