⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24491144 | 1.00 | — | — | |
| SCHEMBL10598999 | 1.00 | — | — | |
| SCHEMBL6083299 | 1.00 | — | — | |
| SCHEMBL28236378 | 0.97 | TSHR (0.39) | — | |
| SCHEMBL15713527 | 0.93 | TSHR (0.50) | — | |
| SCHEMBL23575220 | 0.93 | TSHR (0.50) | — | |
| SCHEMBL9815760 | 0.90 | TSHR (0.47) | — | |
| SCHEMBL23916930 | 0.90 | TSHR (0.47) | — | |
| SCHEMBL4404822 | 0.90 | — | — | |
| SCHEMBL22417709 | 0.88 | TSHR (0.40) | — |
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-0134153-B1 | Bicyclo[3.3.0]octane derivative and preparation thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1989-04-19 | — | — | EP | disclosed |