⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL9580757 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL3786745 | 0.77 | — | — | |
| Alcohol SCHEMBL11052439 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL121 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL142610 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL6522065 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL10454453 | 0.72 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL9508593 | 0.72 | TSHR (0.42) | — | |
| Cyclohexane SCHEMBL27676930 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL4687920 | 0.70 | — | — |
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-5189094-A | Reacting a poly(cyclic iminoether), and ethylenically unsaturated compounds | TEIJIN LIMITED (JP) | 1993-02-23 | — | — | US | disclosed |