⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13478061 | 0.85 | CA4 (0.38) | — | |
| Methylene Chloride SCHEMBL27782673 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL9443649 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL125404 | 0.76 | — | — | |
| SCHEMBL30398000 | 0.76 | — | — | |
| SCHEMBL11061743 | 0.76 | — | — | |
| SCHEMBL328175 | 0.74 | — | — | |
| SCHEMBL9334539 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL27404985 | 0.72 | — | — | |
| SCHEMBL363997 | 0.71 | — | — |
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-5945540-A | Synthesis of certain pyrazolo- 1,5-a! benzimidazole compounds | EASTMAN KODAK COMPANY (US) | 1999-08-31 | — | — | US | disclosed |