⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19979162 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL15791000 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL5392345 | 0.74 | — | — | |
| SCHEMBL24760653 | 0.73 | — | — | |
| SCHEMBL10207649 | 0.73 | — | — | |
| SCHEMBL19037560 | 0.69 | CHRM2 (0.32) | — | |
| SCHEMBL13381273 | 0.69 | NOS3 (0.31) | — | |
| SCHEMBL13381266 | 0.68 | — | — | |
| SCHEMBL10706401 | 0.66 | — | — | |
| SCHEMBL6052759 | 0.64 | — | — |
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-5003089-A | Preparation of cyclic 6-membered to 8-membered vinylene-1,2-dioxy compounds | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-26 | — | — | US | disclosed |