⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25317896 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL25949141 | 0.76 | NTRK1 (0.31) | — | |
| SCHEMBL25321980 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL25320409 | 0.73 | CASR (0.35) | — | |
| SCHEMBL25318523 | 0.72 | — | — | |
| SCHEMBL25319677 | 0.70 | HTT (0.34) | — | |
| SCHEMBL25320781 | 0.69 | — | — | |
| SCHEMBL25318412 | 0.69 | HTT (0.46) | — | |
| SCHEMBL29311638 | 0.68 | F2RL3 (0.33) | — | |
| SCHEMBL25317254 | 0.67 | MEN1 (0.32) | — |
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-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |