⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867971 | 0.81 | — | — | |
| SCHEMBL4797006 | 0.75 | PABPC1 (0.33) | — | |
| SCHEMBL473159 | 0.74 | MAOA (0.32) | — | |
| SCHEMBL11331090 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL28146959 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL28187477 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL28306376 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL311441 | 0.70 | — | — | |
| SCHEMBL28115330 | 0.70 | MAOA (0.30) | — | |
| SCHEMBL5013668 | 0.70 | ALDH1A1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080207582-A1 | Substituted Porphyrins | DUKE UNIVERSITY (US) | 2008-08-28 | — | — | US | disclosed |
| US-20070179124-A1 | Substituted Porphyrins | FRIDOVICH IRWIN | 2007-08-02 | — | — | US | disclosed |
| US-20060074062-A1 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2006-04-06 | — | — | US | disclosed |
| US-6916799-B2 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1045851-B1 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2003-04-23 | — | — | EP | disclosed |
| WO-1996004000-A1 | PEPTIDE-BASED NUCLEIC ACID MIMICS (PENAMs) | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-02-15 | — | — | WO | disclosed |