⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1028572 | 0.79 | — | — | |
| SCHEMBL6663608 | 0.79 | — | — | |
| SCHEMBL1028075 | 0.79 | — | — | |
| SCHEMBL12317549 | 0.76 | — | — | |
| SCHEMBL2154299 | 0.76 | — | — | |
| Fluoride SCHEMBL10656537 | 0.76 | — | — | |
| SCHEMBL623292 | 0.72 | — | — | |
| SCHEMBL1033082 | 0.72 | — | — | |
| SCHEMBL1030843 | 0.72 | — | — | |
| SCHEMBL12216598 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10329287-B2 | Benzimidazole-proline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-25 | — | — | US | disclosed |
| US-20170305897-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-10-26 | — | — | US | disclosed |