⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24548684 | 0.95 | — | — | |
| SCHEMBL24548581 | 0.93 | CA2 (0.31) | — | |
| SCHEMBL24548582 | 0.93 | — | — | |
| SCHEMBL23419401 | 0.91 | — | — | |
| SCHEMBL24570760 | 0.90 | — | — | |
| SCHEMBL29338629 | 0.90 | P2RY2 (0.32) | — | |
| SCHEMBL24254201 | 0.90 | P2RY2 (0.32) | — | |
| SCHEMBL25997481 | 0.88 | — | — | |
| SCHEMBL25541258 | 0.87 | CA2 (0.33) | — | |
| SCHEMBL14820596 | 0.87 | CA2 (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-20230265503-A1 | CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS | ILLUMINA CAMBRIDGE LIMITED (GB) | 2023-08-24 | — | — | US | disclosed |