⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19678540 | 0.87 | — | — | |
| SCHEMBL19678484 | 0.75 | SERPINE1 (0.36) | — | |
| SCHEMBL26807630 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL26068000 | 0.71 | POLB (0.31) | — | |
| SCHEMBL22097494 | 0.71 | HDAC3 (0.34) | — | |
| SCHEMBL21912393 | 0.70 | SERPINE1 (0.35) | — | |
| SCHEMBL19756170 | 0.70 | — | — | |
| SCHEMBL22097512 | 0.70 | ACACB (0.33) | — | |
| SCHEMBL21911813 | 0.69 | HDAC3 (0.30) | — | |
| SCHEMBL26426806 | 0.69 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| WO-2024127977-A1 | RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, COMPOUND, AND ACID DIFFUSION CONTROL AGENT | 東京応化工業株式会社 | 2024-06-20 | — | — | WO | disclosed |