⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4396114 | 0.74 | — | — | |
| SCHEMBL4396111 | 0.74 | — | — | |
| SCHEMBL11865643 | 0.74 | — | — | |
| SCHEMBL9147338 | 0.74 | CA1 (0.36) | — | |
| SCHEMBL4371897 | 0.72 | — | — | |
| SCHEMBL243187 | 0.71 | — | — | |
| SCHEMBL2057569 | 0.69 | — | — | |
| SCHEMBL5623956 | 0.67 | — | — | |
| SCHEMBL2057566 | 0.67 | — | — | |
| 1,4-Butanediol SCHEMBL2058125 | 0.66 | ATR (0.34) | — |
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-5470985-A | Dye for optical recording media, photostability | KONICA CORPORATION (JP) | 1995-11-28 | — | — | US | disclosed |