⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446700 | 0.90 | NPC1 (0.37) | — | |
| SCHEMBL447626 | 0.90 | NPC1 (0.37) | — | |
| SCHEMBL449282 | 0.90 | NPC1 (0.37) | — | |
| SCHEMBL450265 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL452380 | 0.83 | NPC1 (0.37) | — | |
| SCHEMBL453032 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL448360 | 0.81 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL449177 | 0.81 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL452117 | 0.81 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL452206 | 0.81 | SMN1; SMN2 (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183364-B2 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100305083-A1 | SUBSTITUTED PORPHYRINS | BATINIC-HABERLE INES | 2010-12-02 | — | — | US | disclosed |
| US-20100305083-A1 | SUBSTITUTED PORPHYRINS | BATINIC-HABERLE INES | 2010-12-02 | — | — | US | disclosed |
| US-7807825-B2 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2010-10-05 | — | — | US | disclosed |
| US-20080021007-A1 | Substituted Porphyrins | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-01-24 | — | — | US | disclosed |
| EP-1718201-A1 | SUBSTITUTED PORPHYRINS | Duke University (US) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005077269-A1 | SUBSTITUTED PORPHYRINS | DUKE UNIVERSITY (US) | 2005-08-25 | — | — | WO | disclosed |