⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL952090 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL9781203 | 0.78 | — | — | |
| SCHEMBL28842007 | 0.78 | — | — | |
| SCHEMBL4154811 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL3148591 | 0.76 | — | — | |
| SCHEMBL29700536 | 0.76 | — | — | |
| SCHEMBL996401 | 0.76 | — | — | |
| SCHEMBL3647669 | 0.76 | — | — | |
| SCHEMBL4154813 | 0.76 | — | — | |
| SCHEMBL27869028 | 0.76 | TSHR (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4237300-A | CHEMICAL INTERMEDIATES FOR IMIDAZO(1,2-A)PYRIDINE ANTHELMINTIC AGENTS AS WELL AS BEING A FUNGICIDE | MERCK & CO., INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4177274-A | ANTHELMINTICS | MERCK & CO., INC. (US) | 1979-12-04 | — | — | US | disclosed |
| US-4096264-A | ANTHELMINTICS | MERCK & CO., INC. (US) | 1978-06-20 | — | — | US | disclosed |