⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9520485 | 0.81 | — | — | |
| SCHEMBL9521322 | 0.75 | — | — | |
| SCHEMBL15756127 | 0.73 | — | — | |
| SCHEMBL9873129 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL9874440 | 0.72 | — | — | |
| SCHEMBL9871235 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL9522193 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL20588782 | 0.67 | — | — | |
| SCHEMBL10463277 | 0.66 | MEN1 (0.30) | — | |
| SCHEMBL22068047 | 0.65 | CYP1A2 (0.34) | — |
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-4985421-A | Fungicidal substituted dioxolanylethylamine | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | claimed |