⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7662715 | 0.84 | L3MBTL1 (0.31) | — | |
| SCHEMBL7667152 | 0.80 | SCN5A (0.32) | — | |
| SCHEMBL7663277 | 0.80 | — | — | |
| SCHEMBL7667168 | 0.80 | — | — | |
| SCHEMBL7667122 | 0.77 | — | — | |
| SCHEMBL7665029 | 0.77 | — | — | |
| SCHEMBL7660516 | 0.76 | — | — | |
| SCHEMBL7660486 | 0.75 | — | — | |
| SCHEMBL7671195 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL7672961 | 0.73 | CA1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376540-B1 | PREVENT NEURODEGENERATIVE DISEASE | CENTAUR PHARMACEUTICALS, INC. | 2002-04-23 | — | — | US | disclosed |
| US-6051571-A | NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-04-18 | — | — | US | disclosed |
| US-6040444-A | Process for preparing furan nitrone compounds | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-03-21 | — | — | US | disclosed |
| US-5942507-A | REAGANTS FOR DETECTION FREE RADICALS | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-08-24 | — | — | US | disclosed |