⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4559131 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL26368 | 1.00 | — | — | |
| Tert-Butylamine SCHEMBL1907227 | 0.96 | TSHR (0.31) | — | |
| Iodide SCHEMBL5273257 | 0.96 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL2860424 | 0.96 | TSHR (0.31) | — | |
| Methylamine SCHEMBL6868266 | 0.96 | TSHR (0.31) | — | |
| SCHEMBL2176867 | 0.82 | — | — | |
| SCHEMBL6404692 | 0.82 | CYP2D6 (0.32) | — | |
| Sulfuric Acid SCHEMBL297467 | 0.82 | CA5A (0.33) | — | |
| Diaminooctane SCHEMBL6864725 | 0.82 | DNM1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0571579-A1 | METHOD OF PRODUCTION OF POLYMERS AND COPOLYMERS OF CYCLOALKENE OF NORBORNENE TYPE | Chemopetrol, a.s (CS) | 1993-12-01 | — | — | EP | disclosed |