⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29214630 | 0.82 | TSHR (0.34) | — | |
| SCHEMBL28060933 | 0.79 | DPP4 (0.40) | — | |
| SCHEMBL6536454 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL463561 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL4563274 | 0.75 | MEN1 (0.37) | — | |
| SCHEMBL3018154 | 0.73 | — | — | |
| SCHEMBL19921938 | 0.71 | — | — | |
| SCHEMBL11648239 | 0.70 | AKR1C1 (0.32) | — | |
| SCHEMBL28626869 | 0.69 | — | — | |
| SCHEMBL27586838 | 0.69 | ALDH1A1 (0.35) | — |
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-5278228-A | Oxidation and heat resistance, elasticity | BAYER AKTIENGESELLSCHAFT (DE) | 1994-01-11 | — | — | US | disclosed |