⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5587591 | 0.89 | CA1 (0.32) | — | |
| SCHEMBL5589840 | 0.84 | CA1 (0.32) | — | |
| SCHEMBL5588892 | 0.81 | CA1 (0.32) | — | |
| SCHEMBL5073204 | 0.74 | GABRA1 (0.36) | — | |
| SCHEMBL3683190 | 0.74 | GABRA1 (0.36) | — | |
| SCHEMBL6255703 | 0.73 | AHR (0.36) | — | |
| SCHEMBL5588428 | 0.73 | CA1 (0.30) | — | |
| SCHEMBL5108761 | 0.72 | GABRA1 (0.35) | — | |
| SCHEMBL5102526 | 0.72 | GABRA1 (0.35) | — | |
| SCHEMBL5588631 | 0.72 | LDHA (0.30) | — |
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-20090053616-A1 | HOLOGRAPHIC RECORDING MEDIUM | KABUSHIKI KAISHA TOSHIBA | 2009-02-26 | — | — | US | disclosed |