⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11186499 | 0.76 | — | — | |
| SCHEMBL11329665 | 0.73 | — | — | |
| SCHEMBL1476860 | 0.73 | — | — | |
| SCHEMBL11337540 | 0.70 | — | — | |
| SCHEMBL13354747 | 0.64 | — | — | |
| SCHEMBL13312865 | 0.64 | — | — | |
| SCHEMBL1490142 | 0.64 | — | — | |
| SCHEMBL22300 | 0.64 | — | — | |
| SCHEMBL2819665 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL30132067 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0001980-B1 | PROCESS FOR THE PREPARATION OF HALOGENOVINYL-GAMMA-BUTYROLACTONES, INTERMEDIATES THEREFOR AND THEIR PREPARATION | BAYER AG (DE) | 1981-05-06 | — | — | EP | disclosed |
| US-4215050-A | Preparation of halogenovinyl-γ-butyrolactones | BAYER AKTIENGESELLSCHAFT (DE) | 1980-07-29 | — | — | US | disclosed |
| EP-0001980-A1 | Process for the preparation of halogenovinyl-gamma-butyrolactones, intermediates therefor and their preparation | BAYER AG (DE) | 1979-05-30 | — | — | EP | disclosed |