⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6689624 | 0.73 | — | — | |
| SCHEMBL1666609 | 0.71 | — | — | |
| SCHEMBL3905017 | 0.71 | — | — | |
| SCHEMBL3462954 | 0.71 | — | — | |
| SCHEMBL2443206 | 0.71 | — | — | |
| SCHEMBL28553066 | 0.71 | — | — | |
| SCHEMBL10948945 | 0.71 | — | — | |
| SCHEMBL15215820 | 0.67 | — | — | |
| SCHEMBL14370712 | 0.65 | — | — | |
| SCHEMBL22551463 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457127-B1 | Spermicidal coating | BAYER AG (DE) | 1996-08-21 | — | — | EP | disclosed |
| EP-0457127-A2 | Spermicidal coating | BAYER AG (DE) | 1991-11-21 | — | — | EP | disclosed |