⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7797609 | 0.70 | — | — | |
| SCHEMBL2569408 | 0.70 | CA5A (0.42) | — | |
| SCHEMBL620005 | 0.67 | — | — | |
| SCHEMBL1439819 | 0.67 | — | — | |
| SCHEMBL8071112 | 0.67 | — | — | |
| SCHEMBL10337276 | 0.67 | — | — | |
| SCHEMBL8070232 | 0.67 | — | — | |
| Ethylene SCHEMBL16756645 | 0.67 | CA5A (0.39) | — | |
| Ethylene SCHEMBL28013661 | 0.64 | CA5A (0.46) | — | |
| Sulfuric Acid SCHEMBL562189 | 0.61 | — | — |
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-20100221654-A1 | Pigment Preparations Based on C.I. Pigment Blue 15,6 | CLARIANT FINANCE (BVI) LIMITED (VG) | 2010-09-02 | — | — | US | disclosed |