⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1266039 | 0.69 | — | — | |
| Water SCHEMBL31612958 | 0.69 | — | — | |
| SCHEMBL195973 | 0.65 | — | — | |
| SCHEMBL539827 | 0.64 | — | — | |
| SCHEMBL10825464 | 0.62 | — | — | |
| SCHEMBL9652042 | 0.62 | — | — | |
| SCHEMBL24020810 | 0.61 | — | — | |
| SCHEMBL27971551 | 0.60 | — | — | |
| SCHEMBL14686048 | 0.60 | — | — | |
| Water SCHEMBL28093122 | 0.57 | — | — |
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-3978217-A | OR 2 ACID ALKYLENE IMIDAZOLESFUNGICIDES | CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1976-08-31 | — | — | US | disclosed |