⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1252971 | 0.76 | — | — | |
| SCHEMBL17509540 | 0.76 | — | — | |
| SCHEMBL3728537 | 0.72 | — | — | |
| SCHEMBL17593340 | 0.67 | — | — | |
| SCHEMBL1133793 | 0.67 | — | — | |
| SCHEMBL385777 | 0.64 | — | — | |
| SCHEMBL996066 | 0.62 | — | — | |
| Methoxymethane SCHEMBL28055628 | 0.62 | — | — | |
| SCHEMBL9807 | 0.62 | — | — | |
| SCHEMBL11204817 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1210857-A | Triazole derivative or salt thereof | SSP CO LTD (JP) | 1999-03-17 | — | — | CN | disclosed |