⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23638972 | 0.73 | — | — | |
| SCHEMBL27447755 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL28358258 | 0.59 | — | — | |
| SCHEMBL22276788 | 0.57 | — | — | |
| SCHEMBL23468915 | 0.57 | — | — | |
| SCHEMBL18594211 | 0.57 | — | — | |
| SCHEMBL19486390 | 0.57 | — | — | |
| SCHEMBL24134377 | 0.56 | NOS3 (0.41) | — | |
| SCHEMBL2636461 | 0.56 | — | — | |
| SCHEMBL19189975 | 0.56 | — | — |
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-3145923-B1 | INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-01-30 | — | — | EP | disclosed |