⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL268296 | 0.87 | — | — | |
| SCHEMBL10452 | 0.87 | — | — | |
| Methylamine SCHEMBL28985156 | 0.83 | — | — | |
| Lithium SCHEMBL30930491 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL20877167 | 0.82 | — | — | |
| Iodide SCHEMBL35210412 | 0.82 | — | — | |
| Bromide SCHEMBL4916665 | 0.82 | — | — | |
| SCHEMBL28991187 | 0.82 | — | — | |
| SCHEMBL31349738 | 0.82 | — | — | |
| Fluoride SCHEMBL28758766 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3414247-A1 | SPIROINDOLINONES AS DDR1 INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2018-12-19 | — | — | EP | disclosed |
| WO-2017137334-A1 | SPIROINDOLINONES AS DDR1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-08-17 | — | — | WO | disclosed |