⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9149527 | 0.80 | — | — | |
| SCHEMBL5165968 | 0.77 | — | — | |
| SCHEMBL5165964 | 0.77 | — | — | |
| SCHEMBL6765110 | 0.77 | — | — | |
| SCHEMBL11610973 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5166065 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5166075 | 0.75 | — | — | |
| SCHEMBL11518474 | 0.71 | — | — | |
| SCHEMBL7202469 | 0.71 | — | — | |
| SCHEMBL3592420 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4661510-A | FUNGICIDES | SYNTEX (U.S.A.) INC. (US) | 1987-04-28 | — | — | US | claimed |
| EP-0134561-B1 | ALPHA-ALLENIC-ALPHA-AMINO ACIDS | SYNTEX (U.S.A.) INC. (US) | 1987-07-08 | — | — | EP | disclosed |
| US-4661510-A | FUNGICIDES | SYNTEX (U.S.A.) INC. (US) | 1987-04-28 | — | — | US | disclosed |