⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11701149 | 0.74 | — | — | |
| SCHEMBL3903020 | 0.69 | — | — | |
| SCHEMBL11701310 | 0.69 | — | — | |
| SCHEMBL3845264 | 0.66 | — | — | |
| SCHEMBL6475722 | 0.64 | — | — | |
| SCHEMBL23974122 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL3911741 | 0.61 | — | — | |
| SCHEMBL24994362 | 0.61 | CYP2C9 (0.30) | — | |
| SCHEMBL20691730 | 0.60 | — | — | |
| SCHEMBL6746129 | 0.60 | CTSK (0.39) | — |
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-4035398-A | Anthraquinone dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-12 | — | — | US | disclosed |