⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12706434 | 0.86 | — | — | |
| SCHEMBL12706509 | 0.86 | — | — | |
| SCHEMBL12706507 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28528599 | 0.77 | CHRM2 (0.33) | — | |
| SCHEMBL771653 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28782905 | 0.73 | ENO1 (0.32) | — | |
| SCHEMBL771652 | 0.73 | — | — | |
| SCHEMBL12706361 | 0.70 | — | — | |
| SCHEMBL28853721 | 0.70 | — | — | |
| SCHEMBL1675975 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3697410-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USES | Amgen Inc. (US) | 2020-08-26 | — | — | EP | disclosed |
| WO-2019079578-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USES | AMGEN INC. (US) | 2019-04-25 | — | — | WO | disclosed |