⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3520923 | 0.72 | STAT3 (0.42) | — | |
| SCHEMBL3520926 | 0.66 | ADORA2A (0.33) | — | |
| SCHEMBL2963039 | 0.64 | STAT3 (0.50) | — | |
| SCHEMBL2955031 | 0.60 | STAT3 (0.52) | — | |
| SCHEMBL4732325 | 0.59 | TOP1 (0.43) | — | |
| SCHEMBL2963034 | 0.57 | NISCH (0.36) | — | |
| SCHEMBL3522520 | 0.57 | STAT3 (0.47) | — | |
| SCHEMBL3556863 | 0.56 | TLR9 (0.33) | — | |
| SCHEMBL11124417 | 0.54 | TAAR1 (0.56) | — | |
| SCHEMBL144247 | 0.54 | STAT3 (0.47) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718201-B1 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2016-09-14 | — | — | EP | disclosed |
| US-20150344509-A1 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2015-12-03 | — | — | US | disclosed |
| US-9096628-B2 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140080797-A1 | SUBSTITUTED PORPHYRINS | DUKE UNIVERSITY (US) | 2014-03-20 | — | — | US | disclosed |
| US-8618089-B2 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2013-12-31 | — | — | US | disclosed |
| US-20120264725-A1 | SUBSTITUTED PORPHYRINS | BATINIC-HABERLE INES (US) | 2012-10-18 | — | — | US | disclosed |
| 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-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 |