⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21178373 | 0.81 | HCAR2 (0.41) | — | |
| SCHEMBL21178173 | 0.81 | HCAR2 (0.41) | — | |
| SCHEMBL9238752 | 0.81 | HCAR2 (0.41) | — | |
| SCHEMBL30130711 | 0.78 | — | — | |
| SCHEMBL1255839 | 0.73 | HCAR2 (0.56) | — | |
| SCHEMBL27713816 | 0.73 | HCAR2 (0.56) | — | |
| SCHEMBL3385840 | 0.72 | — | — | |
| SCHEMBL9242314 | 0.72 | HCAR2 (0.56) | — | |
| SCHEMBL9241506 | 0.72 | HCAR2 (0.59) | — | |
| SCHEMBL28601118 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1071474-B1 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2005-11-30 | — | — | EP | disclosed |
| US-6479477-B1 | SUITABLE FOR USE IN MODULATING INTRA- AND EXTRACELLULAR PROCESSES IN WHICH SUPEROXIDE RADICALS, OR OTHER OXIDANTS SUCH AS HYDROGEN PEROXIDE OR PEROXYNITRITE, ARE A PARTICIPANT | DUKE UNIVERSITY | 2002-11-12 | — | — | US | disclosed |
| EP-1071474-A4 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2002-10-24 | — | — | EP | disclosed |
| EP-1071474-A1 | SUBSTITUTED PORPHYRINS | DUKE UNIVERSITY (US) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999055388-A9 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2000-01-27 | — | — | WO | disclosed |
| WO-1999055388-A1 | SUBSTITUTED PORPHYRINS | DUKE UNIVERSITY (US) | 1999-11-04 | — | — | WO | disclosed |