⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3473775 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1781353 | 0.69 | — | — | |
| SCHEMBL9662971 | 0.69 | — | — | |
| SCHEMBL1286858 | 0.67 | — | — | |
| SCHEMBL2045631 | 0.66 | — | — | |
| SCHEMBL14672345 | 0.65 | — | — | |
| SCHEMBL2856292 | 0.64 | — | — | |
| SCHEMBL387420 | 0.64 | — | — | |
| SCHEMBL5114876 | 0.64 | — | — | |
| SCHEMBL10578365 | 0.63 | — | — |
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-4731458-A | Spiro[bicyclo[3.2.0]heptane-6,2'-oxirane] derivatives | CBD CORPORATION (US) | 1988-03-15 | — | — | US | disclosed |