⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960682 | 0.76 | — | — | |
| SCHEMBL13109488 | 0.76 | — | — | |
| SCHEMBL8603359 | 0.75 | — | — | |
| SCHEMBL30117301 | 0.73 | OPRM1 (0.44) | — | |
| SCHEMBL2121285 | 0.73 | — | — | |
| SCHEMBL3017216 | 0.71 | SPHK1 (0.45) | — | |
| SCHEMBL2123129 | 0.71 | — | — | |
| SCHEMBL30110429 | 0.69 | LMNA (0.37) | — | |
| SCHEMBL30368458 | 0.69 | — | — | |
| SCHEMBL5561973 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021055591-A1 | SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | BIAL-BioTech Investments, Inc. (US) | 2021-03-25 | — | — | WO | disclosed |