⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7135080 | 0.79 | — | — | |
| SCHEMBL7856505 | 0.74 | — | — | |
| SCHEMBL27526976 | 0.71 | MAPT (0.30) | — | |
| SCHEMBL25342001 | 0.70 | — | — | |
| SCHEMBL30286384 | 0.68 | — | — | |
| SCHEMBL11703790 | 0.67 | — | — | |
| SCHEMBL29536905 | 0.67 | — | — | |
| SCHEMBL708992 | 0.67 | — | — | |
| SCHEMBL7682580 | 0.66 | — | — | |
| Sulfuric Acid SCHEMBL31521703 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110545850-A | Releasable conjugates | QUIAPEG PHARMACEUTICALS AB | 2019-12-06 | — | — | CN | disclosed |
| US-4365100-A | Process for the preparation of 1,2,3,4-tetrahydro-9,10-anthracene-diol | PCUK - PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1982-12-21 | — | — | US | disclosed |
| US-4235666-A | CATALYTIC HYDROGENATION OF 1,4,4A,9A-TETRAHYDROANTHRAQUINONE | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1980-11-25 | — | — | US | disclosed |