⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL294774 | 0.71 | — | — | |
| Fluoride SCHEMBL25376565 | 0.69 | — | — | |
| SCHEMBL12492838 | 0.67 | — | — | |
| SCHEMBL4441528 | 0.67 | — | — | |
| SCHEMBL2264000 | 0.67 | — | — | |
| SCHEMBL3575554 | 0.67 | — | — | |
| SCHEMBL22423681 | 0.67 | — | — | |
| SCHEMBL15506964 | 0.67 | — | — | |
| SCHEMBL20843967 | 0.67 | — | — | |
| SCHEMBL7046571 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3185865-B1 | TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. | MERCK SHARP & DOHME (US) | 2020-07-15 | — | — | EP | disclosed |
| CN-1493291-A | Dicyclic compound capable of inhibiting epidermis growth factor acceptor rotatory tyrosine kinase | ��ʲ | 2004-05-05 | — | — | CN | disclosed |
| CN-1140269-C | Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family | ��ʲ | 2004-03-03 | — | — | CN | disclosed |
| CN-1139383-A | Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family | WARNER LAMBERT CO (US) | 1997-01-01 | — | — | CN | disclosed |