⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7763078 | 0.87 | — | — | |
| SCHEMBL5416953 | 0.82 | — | — | |
| SCHEMBL320162 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL9704170 | 0.76 | — | — | |
| SCHEMBL28257552 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL20658020 | 0.74 | — | — | |
| SCHEMBL9360257 | 0.74 | — | — | |
| SCHEMBL29740314 | 0.74 | CA1 (0.36) | — | |
| SCHEMBL12589705 | 0.72 | — | — | |
| SCHEMBL8467813 | 0.72 | — | — |
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-5113000-A | Multifunctional, sealers for semiconductors, improved adhesion | TOSHIBA SILICONE CO., LTD. (JP) | 1992-05-12 | — | — | US | disclosed |