⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10120407 | 0.85 | MME (0.31) | — | |
| SCHEMBL14886286 | 0.78 | MME (0.31) | — | |
| SCHEMBL14864778 | 0.78 | MME (0.32) | — | |
| SCHEMBL14850463 | 0.78 | MME (0.32) | — | |
| SCHEMBL888696 | 0.76 | ACACB (0.33) | — | |
| SCHEMBL10122822 | 0.76 | ACACB (0.33) | — | |
| SCHEMBL8911903 | 0.76 | ACACB (0.33) | — | |
| SCHEMBL19578425 | 0.75 | CTSK (0.36) | — | |
| SCHEMBL19578484 | 0.73 | CTSK (0.33) | — | |
| SCHEMBL19578342 | 0.68 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10752611-B2 | Benzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2020-08-25 | — | — | US | disclosed |