⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16116040 | 0.61 | — | — | |
| SCHEMBL7099061 | 0.60 | — | — | |
| SCHEMBL3500282 | 0.52 | — | — | |
| SCHEMBL12650515 | 0.48 | — | — | |
| SCHEMBL17232823 | 0.47 | — | — | |
| SCHEMBL11410773 | 0.47 | ALDH1A1 (0.39) | — | |
| SCHEMBL11504162 | 0.45 | — | — | |
| SCHEMBL209765 | 0.44 | ALDH1A1 (0.46) | — | |
| SCHEMBL19251126 | 0.44 | — | — | |
| SCHEMBL6550282 | 0.44 | — | — |
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-2012080446-A1 | BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS | JANSSEN R&D IRELAND (IE) | 2012-06-21 | — | — | WO | disclosed |