⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL235509 | 0.76 | — | — | |
| SCHEMBL1131117 | 0.73 | — | — | |
| SCHEMBL1129929 | 0.71 | — | — | |
| SCHEMBL949921 | 0.69 | — | — | |
| SCHEMBL8373191 | 0.67 | — | — | |
| SCHEMBL28927839 | 0.67 | — | — | |
| SCHEMBL9129999 | 0.67 | — | — | |
| SCHEMBL8372015 | 0.66 | TSHR (0.43) | — | |
| SCHEMBL2118804 | 0.64 | — | — | |
| SCHEMBL1766746 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882768-B1 | Method for producing of phthalocyanine compound | NIPPON CATALYTIC CHEM IND (JP) | 2001-12-19 | — | — | EP | disclosed |
| US-6034236-A | REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-03-07 | — | — | US | disclosed |
| EP-0882768-A2 | Method for producing of phthalocyanine compound | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-12-09 | — | — | EP | disclosed |