⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1797836 | 0.71 | — | — | |
| SCHEMBL10887076 | 0.65 | — | — | |
| SCHEMBL6200636 | 0.65 | — | — | |
| SCHEMBL1283757 | 0.63 | — | — | |
| SCHEMBL940410 | 0.63 | — | — | |
| SCHEMBL5115519 | 0.61 | — | — | |
| SCHEMBL364077 | 0.58 | — | — | |
| SCHEMBL8053089 | 0.56 | — | — | |
| SCHEMBL7039167 | 0.54 | — | — | |
| SCHEMBL1805156 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4457930-A | FUNGICIDES, BACTERICIDES, SLIMICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-03 | — | — | US | claimed |
| US-4457930-A | FUNGICIDES, BACTERICIDES, SLIMICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-03 | — | — | US | disclosed |