⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4006401 | 0.68 | — | — | |
| SCHEMBL3189217 | 0.61 | TDP1 (0.47) | — | |
| SCHEMBL10839900 | 0.58 | PTPN1 (0.36) | — | |
| SCHEMBL4054622 | 0.58 | — | — | |
| SCHEMBL743193 | 0.57 | — | — | |
| SCHEMBL6513036 | 0.57 | APEX1 (0.40) | — | |
| SCHEMBL206161 | 0.57 | — | — | |
| SCHEMBL11475233 | 0.57 | — | — | |
| SCHEMBL10839639 | 0.57 | APEX1 (0.39) | — | |
| SCHEMBL6512403 | 0.56 | APEX1 (0.38) | — |
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-4056544-A | Anthraquinone compounds | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |