⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9558965 | 0.72 | THRB (0.33) | — | |
| SCHEMBL15332465 | 0.69 | — | — | |
| SCHEMBL11490210 | 0.67 | — | — | |
| SCHEMBL7777049 | 0.65 | — | — | |
| SCHEMBL11711353 | 0.65 | — | — | |
| SCHEMBL10582612 | 0.63 | — | — | |
| SCHEMBL21789839 | 0.63 | — | — | |
| SCHEMBL21789837 | 0.63 | — | — | |
| SCHEMBL15540928 | 0.63 | — | — | |
| SCHEMBL6151032 | 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-3972901-A | Diels-Alder type process involving a geminal-dihalocyclopropane and a dienophile | ETHYL CORPORATION (US) | 1976-08-03 | — | — | US | disclosed |