⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6416320 | 0.82 | ESR1 (0.32) | — | |
| SCHEMBL6418921 | 0.73 | — | — | |
| SCHEMBL7869287 | 0.69 | — | — | |
| SCHEMBL5528902 | 0.65 | — | — | |
| SCHEMBL5520514 | 0.65 | ESR1 (0.32) | — | |
| SCHEMBL5523113 | 0.65 | — | — | |
| SCHEMBL7873059 | 0.65 | — | — | |
| SCHEMBL7863901 | 0.63 | — | — | |
| SCHEMBL901827 | 0.62 | — | — | |
| SCHEMBL4452933 | 0.62 | — | — |
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-1614700-A | Recording layer dye for high speed recordable optical disk | XIANGDE SCIENCE & TECHNOLOGY C (CN) | 2005-05-11 | — | — | CN | disclosed |
| CN-1613914-A | Recording layer dye for high speed recordable optical disk | XIANGDE SCIENCE & TECHNOLOGY C (CN) | 2005-05-11 | — | — | CN | disclosed |
| US-20050066453-A1 | Photochromic dye | NEW PRISMATIC ENTERPRISE CO., LTD. (TW) | 2005-03-31 | — | — | US | disclosed |