⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3468720 | 0.72 | — | — | |
| SCHEMBL1078576 | 0.69 | — | — | |
| SCHEMBL486244 | 0.69 | — | — | |
| SCHEMBL252329 | 0.69 | — | — | |
| SCHEMBL295590 | 0.69 | — | — | |
| SCHEMBL1630423 | 0.67 | — | — | |
| SCHEMBL1514225 | 0.67 | — | — | |
| SCHEMBL49115 | 0.66 | — | — | |
| SCHEMBL11764369 | 0.66 | — | — | |
| SCHEMBL51147 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5023168-A | Optical recording media; ring opening with a nucleophile and reacting with the phthalocyanine dye followed by endcapping | HOECHST CELANESE CORP. (US) | 1991-06-11 | — | — | US | disclosed |