⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9351952 | 0.78 | CYP2A6 (0.33) | — | |
| SCHEMBL16211196 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL7670534 | 0.74 | — | — | |
| SCHEMBL22465826 | 0.69 | LIPG (0.33) | — | |
| SCHEMBL7659078 | 0.68 | — | — | |
| SCHEMBL2828839 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL1487076 | 0.64 | CA1 (0.49) | — | |
| SCHEMBL511774 | 0.61 | CA1 (0.50) | — | |
| SCHEMBL11049434 | 0.61 | NPC1 (0.33) | — | |
| SCHEMBL11708793 | 0.60 | CA1 (0.49) | — |
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-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 |