⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21845056 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL25868331 | 0.74 | — | — | |
| SCHEMBL19383834 | 0.72 | — | — | |
| SCHEMBL7073419 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL31885 | 0.71 | — | — | |
| SCHEMBL18065324 | 0.70 | — | — | |
| SCHEMBL15812205 | 0.70 | CYP2D6 (0.34) | — | |
| SCHEMBL19557676 | 0.70 | — | — | |
| SCHEMBL19383836 | 0.69 | — | — | |
| SCHEMBL18663442 | 0.69 | — | — |
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-0133098-B1 | SYNERGISTIN DERIVATIVES AND THEIR PREPARATION | RHONE-POULENC SANTE (FR) | 1987-01-14 | — | — | EP | disclosed |