⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1193792 | 0.82 | — | — | |
| SCHEMBL28107730 | 0.73 | — | — | |
| SCHEMBL14044223 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL20820044 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27189714 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4750183 | 0.69 | — | — | |
| SCHEMBL16611102 | 0.69 | — | — | |
| SCHEMBL13134695 | 0.62 | — | — | |
| SCHEMBL12799616 | 0.62 | — | — | |
| SCHEMBL16611274 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3939591-A1 | QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS | Achillion Pharmaceuticals, Inc. (US) | 2022-01-19 | — | — | EP | disclosed |