⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17763370 | 0.75 | — | — | |
| SCHEMBL17763359 | 0.68 | MAPT (0.32) | — | |
| SCHEMBL3679065 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL1224341 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL707169 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL5470478 | 0.64 | — | — | |
| SCHEMBL50084 | 0.64 | — | — | |
| SCHEMBL5604698 | 0.64 | — | — | |
| SCHEMBL3406058 | 0.64 | MAPT (0.32) | — | |
| SCHEMBL179790 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820489-A1 | HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES | BIOSITE DIAGNOSTICS INC. (US) | 1998-01-28 | — | — | EP | disclosed |